Anticonvulsant compounds [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
nithiamide 140-40-9 C5H5N3O3S 187.17
1.30
clomethiazole 533-45-9 C6H8ClNS 161.65
0.85
clomethiazole hydrochloride 533-45-9-[b] C6H9Cl2NS 198.12
1.23
ethosuximide 77-67-8 C6H9NO2 127.14
1.58
trimethadione 127-48-0 C6H9NO3 143.14
3.06
metronidazole 443-48-1 C6H9N3O3 171.16
-0.02
vigabatrin 60643-86-9 C6H11NO2 129.16
-1.69
paramethadione 115-67-3 C7H11NO3 157.17
3.07
milacemide 76990-56-2 C7H16N2O 144.22
0.43
zonisamide 68291-97-4 C8H8N2O3S 212.23
0.92
acyclovir 59277-89-3 C8H11N5O3 225.21
etiracetam 33996-58-6 C8H14N2O2 170.21
-1.52
divalproex; depakote 99-66-1 C8H16O2 144.21
2.69
valpromide 2430-27-5 C8H17NO 143.23
2.54
pregabalin 148553-50-8 C8H17NO2 159.23
-1.36
4,6-dichloroindole-2-carboxylic acid 101861-63-6 C9H5Cl2NO2 230.05
2.25
lamotrigine 84057-84-1 C9H7Cl2N5 256.09
1.01
tizanidine 51322-75-9 C9H8ClN5S 253.71
2.70
clonidine 4205-90-7 C9H9Cl2N3 230.10
3.47
carisbamate 194085-75-1 C9H10ClNO3 215.64
1.39
phenacemide 63-98-9 C9H10N2O2 178.19
0.73
gabapentin 60142-96-3 C9H17NO2 171.24
-1.10
pivagabine 69542-93-4 C9H17NO3 187.24
1.48
loreclezole 117857-45-1 C10H6Cl3N3 274.54
3.21
brosuximide 22855-57-8 C10H8BrNO2 254.09
1.84
rufinamide 106308-44-5 C10H8F2N4O 238.20
2.13
beclamide; chloroethylphenamide 501-68-8 C10H12ClNO 197.66
2.19
buramate 4663-83-6 C10H13NO3 195.22
1.83
sultiame; sulthiame 61-56-3 C10H14N2O4S2 290.36
-0.06
albutoin 830-89-7 C10H16N2OS 212.31
2.15
dezinamide 91077-32-6 C11H11F3N2O2 260.21
2.37
phensuximide 86-34-0 C11H11NO2 189.21
1.33
cinromide 58473-74-8 C11H12BrNO 254.13
2.20
azidamfenicol 13838-08-9 C11H13N5O5 295.25
2.81
felbamate 25451-15-4 C11H14N2O4 238.24
1.04
narcobarbital; Pronarcon 125-55-3 C11H15BrN2O3 303.16
1.40
zoniclezole 121929-20-2 C12H10ClN3O 247.68
2.45
losigamone 112856-44-7 C12H11ClO4 254.67
2.33
phenobarbital-sodium 57-30-7 C12H11N2NaO3 254.22
1.29
phenobarbital 50-06-6 C12H12N2O3 232.24
1.47
benznidazole 22994-85-0 C12H12N4O3 260.25
1.49
fluzinamide 76263-13-3 C12H13F3N2O2 274.24
2.44
mephenytoin 50-12-4 C12H14N2O2 218.26
1.05
metetoin 5696-06-0 C12H14N2O2 218.26
1.05
primidone; primaclone 125-33-7 C12H14N2O2 218.25
0.91
tiletamine 14176-49-9 C12H17NOS 223.34
2.33
3-hydroxy-p-butyrophenetidide 1083-57-4 C12H17NO3 223.27
1.21
topiramate 97240-79-4 C12H21NO8S 339.36
1.17
nizatidine 76963-41-2 C12H21N5O2S2 331.46
0.74
ralitoline 93738-40-0 C13H13ClN2O2S 296.78
3.21
soretolide 130403-08-6 C13H14N2O2 230.27
1.32
NCS-382 131733-92-1 C13H14O3 218.25
1.92
taltrimide 81428-04-8 C13H16N2O4S 296.34
1.21
lacosamide; [erlosamide] 175481-36-4 C13H18N2O3 250.30
1.20
ranitidine 66357-35-5 C13H22N4O3S 314.41
0.66
indeloxazine 60929-23-9 C14H17NO2 231.29
2.97
abacavir; Ziagen 136470-78-5 C14H18N6O 286.34
2.84
stiripentol 49763-96-4 C14H18O3 234.29
2.63
clonazepam 1622-61-3 C15H10ClN3O3 315.72
2.25
nitrazepam 146-22-5 C15H11N3O3 281.27
2.25
carbamazepine 298-46-4 C15H12N2O 236.27
3.48
oxcarbazepine 28721-07-5 C15H12N2O2 252.27
3.35
phenytoin 57-41-0 C15H12N2O2 252.27
2.72
eslicarbazepine 104746-04-5 C15H14N2O2 254.29
3.47
endixaprine 93181-85-2 C15H15Cl2N3O 324.21
1.29
lodaxaprine 93181-81-8 C15H16ClN3O 289.77
1.33
ameltolide 787-93-9 C15H16N2O 240.31
1.86
ilepcimide 82857-82-7 C15H17NO3 259.30
2.40
biapenem 120410-24-4 C15H18N4O4S 350.40
3.12
estazolam 29975-16-4 C16H11ClN4 294.74
2.12
temazepam 846-50-4 C16H13ClN2O2 300.74
2.19
suclofenide 30279-49-3 C16H13ClN2O4S 364.81
2.02
citenamide 10423-37-7 C16H13NO 235.29
4.09
nimetazepam 2011-67-8 C16H13N3O3 295.30
2.15
lansoprazole 103577-45-3 C16H14F3N3O2S 369.36
2.20
medazepam 2898-12-6 C16H15ClN2 270.76
4.23
metaqualone hydrochloride 340-56-7 C16H15ClN2O 286.76
3.41
cyheptamide 7199-29-3 C16H15NO 237.30
3.74
fosphenytoin 93390-81-9 C16H15N2O6P 362.28
2.66
hydroxystilbamidine 495-99-8 C16H16N4O 280.33
2.19
cephalexin; cefalexin; cefadin 15686-71-2 C16H17N3O4S 347.39
-1.77
retigabine 150812-12-7 C16H18FN3O2 303.34
2.83
morsuximide 3780-72-1 C16H20N2O3 288.35
2.06
divalproex sodium 76584-70-8 C16H31NaO4 310.41
4.32
fletazepam 34482-99-0 C17H13ClF4N2 356.75
3.63
GYKI-52466 102771-26-6 C17H15N3O2 293.33
2.83
zaleplon 151319-34-5 C17H15N5O 305.34
0.72
bentazepam 29462-18-8 C17H16N2OS 296.39
2.73
etifoxine 21715-46-8 C17H17ClN2O 300.79
2.88
zopiclone 43200-80-2 C17H17ClN6O3 388.81
-0.55
etazepine 88124-27-0 C17H17NO2 267.33
2.40
divaplon 90808-12-1 C17H17N3O2 295.34
1.66
diphoxazide 511-41-1 C17H18N2O3 298.34
3.26
tetrahydroisoquinoline deriv. 47281-61-8 C17H18N2O4 314.34
3.19
safinamide 133865-89-1 C17H19FN2O2 302.35
2.71
remacemide 128298-28-2 C17H20N2O 268.36
2.70
gavestinel 153436-22-7 C18H12Cl2N2O3 375.21
2.93
mesocarb 34262-84-5 C18H18N4O2 322.37
4.10
riodipine 71653-63-9 C18H19F2NO5 367.35
2.20
dihydrocodeine 125-28-0 C18H22NO3 300.38
0.89
acebutolol 37517-30-9 C18H28N2O4 336.43
1.71
clindamycin 18323-44-9 C18H33ClN2O5S 424.99
0.53
flutoprazepam 25967-29-7 C19H16ClFN2O 342.80
3.73
clometacin 25803-14-9 C19H16ClNO4 357.79
3.14
benzobarbital 744-80-9 C19H16N2O4 336.35
1.47
bretazenil; Ro 16-6028 84379-13-5 C19H20BrN3O3 418.30
2.20
denzimol 73931-96-1 C19H20N2O 292.38
1.71
tonabersat 175013-84-0 C20H19ClFNO4 391.83
3.25
carabersat 184653-84-7 C20H20FNO4 357.38
3.23
dinazafone 71119-12-5 C20H21ClN2O2 356.85
3.65
dulozafone 75616-02-3 C20H22Cl2N2O4 425.31
3.24
tiagabine 115103-54-3 C20H25NO2S2 375.55
3.76
enalapril 75847-73-3 C20H28N2O5 376.45
-0.63
PK-11195 85532-75-8 C21H21ClN2O 352.86
3.98
NO-711 hydrochloride 145645-62-1 C21H23ClN2O3 386.88
2.68
alpidem 82626-01-5 C21H23Cl2N3O 404.34
3.74
atevirdine 136816-75-6 C21H25N5O2 379.46
1.96
ifenprodil 23210-56-2 C21H27NO2 325.45
4.43
cannabidiol, trans 13956-29-1 C21H30O2 314.47
6.97
dronabinol 1972-08-3 C21H30O2 314.47
6.97
alfentanil 71195-58-9 C21H32N6O3 416.53
2.04
chlortetracycline 57-62-5 C22H23ClN2O8 478.88
-1.15
vinpocetiner 42971-09-5 C22H26N2O2 350.46
2.55
barbexaclone 4388-82-3 C22H33N3O3 387.52
2.86
ganaxolone 38398-32-2 C22H36O2 332.53
4.14
misoprostol, (+/-)-(S)- 59122-46-2 C22H38O5 382.54
8.86
abecarnil 111841-85-1 C24H24N2O4 404.47
3.10
ropizine 3601-19-2 C24H26N4 370.50
3.62
dipipanone 467-83-4 C24H31NO 349.52
3.93
mebeverine 3625-06-7 C25H35NO5 429.56
3.64
delapril 83435-66-9 C26H32N2O5 452.55
1.21
candesartan cilexetil 145040-37-5 C33H34N6O6 610.66
5.06
nabazenil 58019-65-1 C35H55NO3 537.83
6.24


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