Analgesics [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
clodronic acid 10596-23-3 CH4Cl2O6P2 244.89
-3.49
salicylic acid sodium 54-21-7 C7H5NaO3 160.10
-1.43
gallic acid 149-91-7 C7H6O5 170.12
0.70
gallic acid hydroxamide 69839-82-3 C7H7NO5 185.13
1.11
carsalam 2037-95-8 C8H5NO3 163.13
1.49
gallic acid methyl ester 99-24-1 C8H8O5 184.15
1.80
metacetamol 621-42-1 C8H9NO2 151.16
0.83
tizanidine 51322-75-9 C9H8ClN5S 253.71
2.70
gallic acid acetyl C9H8O6 212.16
1.88
gallic acid ethyl ester 831-61-8 C9H10O5 198.17
1.80
gallic acid 2-hydroxyethyl ester 68162-50-5 C9H10O6 214.17
1.81
tebanicline 198283-73-7 C9H11ClN2O 198.65
0.83
ecgonine 481-37-8 C9H15NO3 185.22
0.82
tetridamine 17289-49-5 C9H15N3 165.24
2.66
drinidene 53394-92-6 C10H9NO 159.19
1.92
gallic acid 3-hydroxypropyl ester C10H12O6 228.20
1.81
anpirtoline 98330-05-3 C10H13ClN2S 228.74
1.71
phenacetin; N-acetyl-4-ethoxyaniline 62-44-2 C10H13NO2 179.22
1.40
flumexadol 30914-89-7 C11H12F3NO 231.22
2.92
metazamide 14058-90-3 C11H12N2O2 204.23
1.69
epibatidine 140111-52-0 C11H13ClN2 208.69
0.84
4-(4-chloro-1,2,5-thidiazol-3-yl)-4-chloro-1-azaadamantane C11H13Cl2N3S 290.22
2.19
moxadolen 75992-53-9 C11H13NO4 223.23
2.47
4-(4-chloro-1,2,5-thidiazol-3-yl)-1-azaadamantane C11H14ClN3S 255.77
2.29
indantadol 202844-10-8 C11H14N2O 190.25
1.21
gallic acid isobytyl ester 3856-05-1 C11H14O5 226.23
1.91
gallic acid n-butyl ester 1083-41-6 C11H14O5 226.23
1.80
epibatidine deriv.; T-4880-030 C11H15N3 189.26
0.68
emorfazone 38957-41-4 C11H17N3O3 239.27
0.75
tenosal 95232-68-1 C12H8O4S 248.26
2.78
pirfenidone 53179-13-8 C12H11NO 185.23
1.68
epibatidine deriv.; T-4880-017 C12H13F3N2O3S 322.31
2.45
detomidine 76631-46-4 C12H14N2 186.26
1.57
gallic acid n-pentyl ester 4568-93-8 C12H16O5 240.25
2.21
4-(4-methoxy-1,2,5-thidiazol-3-yl)-1-azaadamantane C12H17N3OS 251.35
2.27
diflunisal 22494-42-4 C13H8F2O3 250.20
2.93
gallic acid 4-bromophenyl ester C13H9BrO5 325.12
2.38
gallic acid 4-chlorophenyl ester C13H9ClO5 280.66
2.35
gallic acid 4-nitrophenyl ester C13H9NO7 291.21
2.39
gallic acid N-(3-bromophenyl) amide C13H10BrNO4 324.13
1.85
gallic acid N-(4-bromophenyl) amide C13H10BrNO4 324.13
1.85
gallic acid N-(3-chlorophenyl) amide C13H10ClNO4 279.68
1.82
gallic acid N-(4-chlorophenyl) amide C13H10ClNO4 279.68
1.82
lornoxicam 70374-39-9 C13H10ClN3O4S2 371.82
3.06
gallic acid N-(3-nitrophenyl) amide C13H10N2O6 290.23
1.80
gallic acid N-(4-nitrophenyl) amide C13H10N2O6 290.23
1.80
gallic acid phenyl ester 70022-13-8 C13H10O5 246.22
2.35
gallic acid 4-hydroxyphenyl ester C13H10O6 262.22
2.42
gallic acid N-phenyl-amide 6262-27-7 C13H11NO4 245.23
1.81
tenoxicam 59804-37-4 C13H11N3O2S2 305.38
1.56
pidolacetamol; tolacetamol 114485-92-6 C13H14N2O4 262.26
1.05
octazamide 56391-55-0 C13H15NO2 217.27
1.02
alminoprofen 39718-89-3 C13H17NO2 219.28
1.91
gallic acid N-cyclohexyl amide C13H17NO4 251.28
2.51
gallic acid n-hexyl ester C13H18O5 254.28
3.37
4-(4-ethoxy-1,2,5-thidiazol-3-yl)-1-azaadamantane C13H19N3OS 265.38
2.42
saletamide 46803-81-0 C13H20N2O2 236.31
0.93
vedaclidine 141575-50-0 C13H21N3S2 283.46
3.20
flufenamic acid 530-78-9 C14H10F3NO2 281.23
5.25
gallic acid anhydride C14H10O9 322.22
2.55
gallic acid 4-bromobenzyl ester C14H11BrO5 339.15
2.30
gallic acid 3-chlorobenzyl ester C14H11ClO5 294.69
2.24
gallic acid 4-chlorobenzyl ester C14H11ClO5 294.69
2.24
flunixin 38677-85-9 C14H11F3N2O2 296.25
5.22
gallic acid 4-nitrobenzyl ester C14H11NO7 305.24
2.37
gallic acid 3-methylphenyl ester C14H12O5 260.24
2.45
gallic acid 4-methylphenyl ester C14H12O5 260.24
2.45
gallic acid benzyl ester C14H12O5 260.24
2.22
gallic acid 4-methoxylphenyl ester C14H12O6 276.24
2.41
gallic acid N-(3-methoxyphenyl) amide C14H13NO5 275.26
2.00
gallic acid N-(4-methoxyphenyl) amide C14H13NO5 275.26
2.00
isoxicam 34552-84-6 C14H13N3O5S 335.34
1.02
metanixin 4394-04-1 C14H14N2O2 242.28
3.35
acequinoline 42465-20-3 C14H15NO2 229.28
2.35
naproxol 26159-36-4 C14H16O2 216.28
3.79
dimethylthiambutene 524-84-5 C14H17NS2 263.42
3.70
4-(=CH(C#NC(=O)CC))-1-azaadamantane C14H18N2O2 246.31
3.26
N-methyl-(L-tyrosyl)-(S-oxido-D-methionyl)-(L-phenylalanyl)-(N-methyl)-beta-alanine C14H18N2O2 246.31
0.45
letimide 26513-90-6 C14H18N2O3 262.31
1.44
nifenazone; Nicopyron 2139-47-1 C14H18N4O2 274.32
0.08
filenadol 78168-92-0 C14H19NO4 265.31
1.78
ramifenazone 3615-24-5 C14H19N3O 245.33
0.99
norpethidine hydrochloride 24465-45-0 C14H20ClNO2 269.77
1.93
4-(-CH(C#N)C(=O)CC)-1-azaadamantane C14H20N2O2 248.33
4.91
profadol 428-37-5 C14H21NO 219.33
3.62
4-(4-propoxy-1,2,5-thidiazol-3-yl)-1-azaadamantane C14H21N3OS 279.41
2.61
propetamide 730-07-4 C14H22N2O2 250.34
0.82
rimazolium methylsulfate 28610-84-6 C14H22N2O7S 362.40
1.95
tapentadol; [CAS also 175591-09-0] 175591-23-8 C14H23NO 221.34
3.79
bromfenac 91714-94-2 C15H12BrNO3 334.17
3.12
keterolac 74103-06-3 C15H13NO3 255.27
1.88
piroxicam 36322-90-4 C15H13N3O4S 331.35
3.06
fenoprofen 31879-05-7 C15H14O3 242.27
4.26
gallic acid 2-phenylethyl ester C15H14O5 274.27
2.45
gallic acid 3-methylbenzyl ester C15H14O5 274.27
2.40
gallic acid 4-methylbenzyl ester C15H14O5 274.27
2.40
gallic acid 3-methoxybenzyl ester C15H14O6 290.27
2.34
gallic acid 4-methoxybenzyl ester C15H14O6 290.27
2.34
alpha-santonin 481-06-1 C15H18O3 246.31
3.85
bromadoline 67579-24-2 C15H21BrN2O 325.25
0.75
eptazocine 72522-13-5 C15H21NO 231.34
1.00
metazocine 3734-52-9 C15H21NO 231.34
1.06
cymidon; ketobemidone 469-79-4 C15H21NO2 247.34
4.05
desmethylprodine 13147-09-6 C15H21NO2 247.34
2.85
cizolirtine 142155-43-9 C15H21N3O 259.35
1.78
4-(4-(cyclopropyl-CH2-O)-1,2,5-thidiazol-3-yl)-1-azaadamantane C15H21N3OS 291.42
1.75
faxeladol 433265-65-7 C15H23NO 233.35
5.86
meptazinol 54340-58-8 C15H23NO 233.35
4.30
ciramadol 63269-31-8 C15H23NO2 249.35
5.33
4-(4-butoxy-1,2,5-thidiazol-3-yl)-1-azaadamantane C15H23N3OS 293.43
2.88
4-(4-tert-butoxy-1,2,5-thidiazol-3-yl)-1-azaadamantane C15H23N3OS 293.43
2.72
edronocaine 190258-12-9 C15H25NO2 251.37
2.30
isoxepac 55453-87-7 C16H12O4 268.27
3.12
dexketoprofen; (S)-(+)-ketoprofen 22161-81-5 C16H14O3 254.28
3.12
fenbufen; 3-(4-phenylbenzoyl)propionic acid 36330-85-5 C16H14O3 254.28
3.10
anirolac 66635-85-6 C16H15NO4 285.30
1.84
gallic acid 2-(4-methylphenyl)ethyl ester C16H16O5 288.30
2.67
gallic acid 2-(4-methoxyphenyl)ethyl ester C16H16O6 304.30
2.59
lefetamine 7262-75-1 C16H19N 225.33
3.69
dezocine 53648-55-8 C16H23NO 245.37
0.92
alphaprodine 77-20-3 C16H23NO2 261.36
2.93
meperidine; demerol; methiidine; pethidine 57-42-1 C16H23NO2 261.36
2.56
picenadol; LY 150,720 79201-85-7 C16H25NO 247.38
4.68
tramadol 27203-92-5 C16H25NO2 263.38
4.63
axomadol 187219-95-0 C16H25NO3 279.38
3.81
propiram 15686-91-6 C16H25N3O 275.40
1.87
tramadol HCL 36282-47-0 C16H26ClNO2 299.84
2.35
talosalate 66898-60-0 C17H12O6 312.28
4.14
oxindanac 68548-99-2 C17H14O4 282.29
3.14
indoprofen 31842-01-0 C17H15NO3 281.31
2.90
lorcinadol 104719-71-3 C17H19ClN4 314.82
1.37
ralfinamide 133865-88-0 C17H19FN2O2 302.35
2.71
dimefadane 5581-40-8 C17H19N 237.35
3.86
nefopam 13669-70-0 C17H19NO 253.34
3.27
hydromorphone 466-99-9 C17H19NO3 285.34
0.89
oxymorphone 76-41-5 C17H19NO4 301.34
0.89
levorphanol; racemorphan 77-07-6 C17H23NO 257.38
0.89
dextilidine 32447-90-8 C17H23NO2 273.38
3.00
tilidine 20380-58-9 C17H23NO2 273.38
3.00
proxazole 5696-09-3 C17H25N3O 287.41
2.47
amixetrine 24622-72-8 C17H27NO 261.41
4.09
niometacin 16426-83-8 C18H16N2O4 324.34
4.11
ipriflavone 35212-22-7 C18H16O3 280.32
3.56
fluproquazone 40507-23-1 C18H17FN2O 296.34
1.88
etofenamate 30544-47-9 C18H18F3NO4 369.34
3.56
nuzadolane 115762-17-9 C18H19F2N5S 375.44
2.58
codeine 76-57-3 C18H21NO3 299.37
0.89
hydrocodone; dihydrocodeinone 125-29-1 C18H21NO3 299.37
0.91
oxycodone; Percocet 76-42-6 C18H21NO4 315.37
0.89
ketazocine 36292-69-0 C18H23NO2 285.39
1.65
cyclazocine 3572-80-3 C18H25NO 271.40
1.53
moxazocine 58239-89-7 C18H25NO2 287.40
2.29
allylprodine hydrochloride; alperidine 25384-17-2 C18H26ClNO2 323.86
2.66
zucapsaicin 25775-90-0 C18H27NO3 305.42
2.62
palmidrol 544-31-0 C18H37NO2 299.50
4.61
gallic acid N-(3-phenoxyphenyl) amide C19H15NO5 337.33
2.33
gallic acid N-(4-phenoxyphenyl) amide C19H15NO5 337.33
2.29
clometacin 25803-14-9 C19H16ClNO4 357.79
3.14
indomethacin; indometacin 53-86-1 C19H16ClNO4 357.79
4.27
glafenine 3820-67-5 C19H17ClN2O4 372.81
3.11
carbasalate calcium 5749-67-7 C19H18CaN2O9 458.44
3.27
pinadoline 38955-22-5 C19H19Cl2N3O3 408.28
3.74
phenylbutazone; Butazolidin 50-33-9 C19H20N2O2 308.38
3.16
trazodone 19794-93-5 C19H22ClN5O 371.87
3.08
alimadol 52742-40-2 C19H23NO 281.40
4.22
pentazocine 359-83-1 C19H27NO 285.43
1.03
hydroquinone digallate C20H14O10 414.32
2.73
gallic acid 3-phenoxybenzyl ester C20H16O6 352.34
2.82
floctafenine 23779-99-9 C20H17F3N2O4 406.36
3.68
befiradol 208110-64-9 C20H22ClF2N3O 393.86
4.29
dexoxadrol 4741-41-7 C20H23NO2 309.41
3.55
dexoxadrol hydrochloride 631-06-1 C20H24ClNO2 345.87
2.91
methopholine; metofoline 2154-02-1 C20H24ClNO2 345.87
3.52
ketorfanol 79798-39-3 C20H25NO2 311.42
0.92
dimenoxadol 509-78-4 C20H25NO3 327.42
4.54
bamifylline 2016-63-9 C20H27N5O3 385.47
-0.11
remifentanil 132875-61-7 C20H28N2O5 376.45
3.38
tebufelone 112018-00-5 C20H28O2 300.44
5.03
brifentanil 101345-71-5 C20H29FN6O3 420.49
3.96
talniflumate 66898-62-2 C21H13F3N2O4 414.34
3.46
oxetorone 26020-55-3 C21H21NO2 319.40
4.83
dizatrifone 92257-40-4 C21H21N3O3 363.42
3.70
racecadotril; acetorphan 81110-73-8 C21H23NO4S 385.48
2.88
myfadol 4575-34-2 C21H25NO2 323.44
4.23
nalmexone 16676-26-9 C21H25NO4 355.43
0.89
methadone 76-99-3 C21H27NO 309.45
3.93
tilidine fumarate 55567-81-2 C21H27NO6 389.45
2.95
anidoxime 34297-34-2 C21H27N3O3 369.46
2.21
6-dimethylamino-4,4-diphenyl-3-heptanone hydrochloride 1095-90-5 C21H28ClNO 345.91
3.93
butorphanol 42408-82-2 C21H29NO2 327.47
0.89
namoxyrate 1234-71-5 C21H29NO3 343.47
4.00
cogazocine 57653-29-9 C21H31NO 313.48
0.94
levorphanol tartrate [dihydrate] 5985-38-6 C21H33NO9 443.49
0.90
sameridine 143257-97-0 C21H34N2O 330.52
3.71
dexpemedolac 114030-44-3 C22H23NO3 349.43
2.26
pemedolac 114716-16-4 C22H23NO3 349.43
2.26
mirfentanil 117523-47-4 C22H24N4O2 376.46
1.67
pipoxolan 23744-24-3 C22H25NO3 351.45
4.54
phenazocine 127-35-5 C22H27NO 321.46
0.91
dexproxibutene 47419-52-3 C22H27NO2 337.46
3.38
isalmadol [both enantiomers] 269079-62-1 C22H27NO4 369.46
3.36
anileridine 144-14-9 C22H28N2O2 352.48
3.26
pentamorphone 68616-83-1 C22H28N2O3 368.48
0.91
mitoxantrone 65271-80-9 C22H28N4O6 444.49
1.62
dextropropoxyphene; darvon 469-62-5 C22H29NO2 339.48
3.51
noracymethadol 1477-39-0 C22H29NO2 339.48
3.93
propoxyphene 77-50-9 C22H29NO2 339.48
3.52
dextropropoxyphene hydrochloride 1639-60-7 C22H30ClNO2 375.94
3.41
spiradoline 87151-85-7 C22H30Cl2N2O2 425.40
4.00
davasaicin 147497-64-1 C22H30N2O3 370.49
3.15
acetamide deriv. 174661-97-3 C22H31ClN2O3 406.95
1.55
pravadoline 92623-83-1 C23H26N2O3 378.47
3.99
narceine 131-28-2 C23H27NO8 445.47
2.50
indopine 3569-26-4 C23H28N2 332.49
3.84
norpipanone 561-48-8 C23H29NO 335.49
3.93
benzethidine 3691-78-9 C23H29NO3 367.49
3.39
conorfone; conorphone 72060-05-0 C23H29NO3 367.49
1.01
morphine glucuronide 20290-10-2 C23H29NO8 447.48
0.89
apadoline 135003-30-4 C23H29N3OS 395.57
4.65
acetylmethadol; levacetylmethadol 509-74-0 C23H31NO2 353.51
3.93
levacetylmethadol 34433-66-4 C23H31NO2 353.51
3.93
levomethadyl acetate hydrochloride 43033-72-3 C23H32ClNO2 389.96
3.93
tonazocine 71461-18-2 C23H35NO2 357.54
0.90
nicafenine 64039-88-9 C24H19ClN4O3 446.89
3.14
carfentanil 59708-52-0 C24H30N2O3 394.51
3.64
dipipanone 467-83-4 C24H31NO 349.52
3.93
trospium chloride 10405-02-4 C25H30ClNO3 427.97
3.06
trefentanil 120656-74-8 C25H31FN6O2 466.56
4.43
etorphine; M-99 14521-96-1 C25H33NO4 411.54
1.01
butorphanol tartrate 58786-99-5 C25H35NO8 477.55
0.90
sufentanil citrate 60561-17-3 C26H34N2O9S 550.63
0.53
olvanil 58493-49-5 C26H43NO3 417.63
6.84
talmetacin 67489-39-8 C27H20ClNO6 489.91
2.59
asimadoline 153205-46-0 C27H30N2O2 414.55
4.52
piritramide 302-41-0 C27H34N4O 430.60
3.63
alletorphine 23758-80-7 C27H35NO4 437.58
1.86
tribenzylgallic acid C28H30O5 446.54
4.04
butixirate 19992-80-4 C28H33NO2 415.58
4.04
carbiphene; carbifene 15687-16-8 C28H34N2O2 430.59
4.71
nicomorphine 639-48-5 C29H25N3O5 495.53
1.99
antrafenine 55300-29-3 C30H26F6N4O2 588.55
4.87
antrafenine dihydrochloride 55300-30-6 C30H28Cl2F6N4O2 661.47
5.08
tribenzylgallic acid ethyl ester C30H34O5 474.60
2.75
bezitramide 15301-48-1 C31H32N4O2 492.62
4.12
sulbutiamine 3286-46-2 C32H46N8O6S2 702.90
1.45
ergotamine 113-15-5 C33H35N5O5 581.67
-1.19
nabitan 66556-74-9 C35H52N2O3 548.81
6.29
leconotide 247207-64-3 C107H179N35O36S7 2756.24
-0.29
calcitonin, salmon 47931-85-1 C145H240N44O48S2 3431.90
2.16


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