Antiviral 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
foscarnet trisodium 63585-09-1 CNa3O5P 191.95
-2.81
foscarnet 4428-95-9 CH3O5P 126.00
-3.39
imexon 59643-91-3 C4H5N3O 111.10
0.03
favipiravir 259793-96-9 C5H4FN3O2 157.10
-0.61
3-hydroxypyrazine-2-carboxamide 55321-99-8 C5H5N3O2 139.11
-0.60
ditiocarb; diethylcarbamodithioic acid 147-84-2 C5H11NS2 149.28
0.25
sparfosic acid 51321-79-0 C6H10NO8P 255.12
-2.55
kethoxal; ketoxal 27762-78-3 C6H12O4 148.16
-0.40
moroxydine 3731-59-7 C6H13N5O 171.20
-0.83
citenazone 21512-15-2 C7H8N4S2 212.30
1.81
triclacetamol 6340-87-0 C8H6Cl3NO2 254.50
0.99
oltipraz 64224-21-1 C8H6N2S3 226.34
1.17
desciclovir 84408-37-7 C8H11N5O2 209.21
-0.02
acyclovir; CAS also 66341-16-0 59277-89-3 C8H11N5O3 225.21
ribavirin monophosphate 40925-28-8 C8H13N4O8P 324.19
1.25
taribarivin 119567-79-2 C8H13N5O4 243.22
-1.84
cidofovir [anhydrous] 113852-37-2 C8H14N3O6P 279.19
-0.74
fialuridine 69123-98-4 C9H10FIN2O5 372.09
-0.29
elvucitabine 181785-84-2 C9H10FN3O3 227.19
2.28
fiacitabine 69123-90-6 C9H11FIN3O4 371.11
0.33
idoxuridine 54-42-2 C9H11IN2O5 354.10
-0.29
ibacitabine 611-53-0 C9H12IN3O4 353.12
0.33
ganciclovir monodium salt 107910-75-8 C9H12N5NaO4 277.22
-0.13
torcitabine 40093-94-5 C9H13N3O4 227.22
-0.76
pyrazofurin; pyrazomycin 30868-30-5 C9H13N3O6 259.22
1.15
detiviciclovir 220984-26-9 C9H13N5O2 223.24
-0.01
tiviciclovir 103024-93-7 C9H13N5O3 239.23
0.02
tenofovir 206184-49-8 C9H14N5O4P 287.22
-0.05
bropirimine 56741-95-8 C10H8BrN3O 266.10
1.33
methisazone; metisazone 1910-68-5 C10H10N4OS 234.28
0.85
trifluridine 70-00-8 C10H11F3N2O5 296.20
-1.15
stepronin 72324-18-6 C10H11NO4S2 273.33
1.30
2-chloro-2',3'-dideoxy-adenosine 114849-58-0 C10H12ClN5O2 269.69
-1.48
didanosine; DDI 69655-05-6 C10H12N4O3 236.23
-1.23
clevudine 163252-36-6 C10H13FN2O5 260.22
-1.16
vidarabine 5536-17-4 C10H13N5O4 267.24
-0.37
vidarabine [monohydrate] 24356-66-9 C10H13N5O4 267.24
-0.84
zidovudine; AZT 30516-87-1 C10H13N5O4 267.24
0.34
telbivudine 3424-98-4 C10H14N2O5 242.23
-1.16
tenuazonic acid 610-88-8 C10H15NO3 197.23
1.35
penciclovir; denavir 39809-25-1 C10H15N5O2 237.26
-0.04
omaciclovir 124265-89-0 C10H15N5O3 253.26
0.01
lobucavir 127759-89-1 C11H15N5O3 265.27
0.03
netivudine 84558-93-0 C12H14N2O6 282.25
-1.16
entecavir; CAS also 142217-69-4 209216-23-9 C12H15N5O3 277.28
-0.14
epervudine 60136-25-6 C12H18N2O5 270.28
-1.16
zanamivir; zanamavir 139110-80-8 C12H20N4O7 332.31
-2.98
rimantadine 13392-28-4 C12H21N 179.31
2.60
rimantadine hydrochloride 1501-84-4 C12H22ClN 215.77
2.98
trovirdine 149488-17-5 C13H13BrN4S 337.25
1.70
amidapsone 3569-77-5 C13H13N3O3S 291.33
1.86
metomidate 5377-20-8 C13H14N2O2 230.27
1.89
cipamfylline 132210-43-6 C13H17N5O2 275.31
1.97
valacyclovir; valaciclovir; Valtrex 124832-26-4 C13H20N6O4 324.34
-0.02
Ro 24-7429 139339-45-0 C14H13ClN4 272.74
2.14
abacavir; Ziagen; 1592U89 136470-78-5 C14H18N6O 286.34
2.84
famciclovir 104227-87-4 C14H19N5O4 321.34
-0.07
valtorcitabine 380886-95-3 C14H22N4O5 326.35
0.05
valganciclovir 175865-60-8 C14H22N6O5 354.37
-0.40
valganciclovir hydrochloride 175865-59-5 C14H23ClN6O5 390.83
2.49
amiprilose 56824-20-5 C14H27NO6 305.37
1.00
4',6-dichloroflavan 73110-56-2 C15H12Cl2O 279.17
4.42
maribavir 176161-24-3 C15H19Cl2N3O4 376.24
2.54
talviraline 169312-27-0 C15H20N2O3S2 340.46
2.83
valopicitabine 640281-90-9 C15H24N4O6 356.38
-0.30
valomaciclovir 195157-34-7 C15H24N6O4 352.39
-0.07
rociclovir 108436-80-2 C15H25N5O3 323.40
-0.11
peramivir; BCX-1812 330600-85-6 C15H28N4O4 328.41
3.08
mitonafide 54824-17-8 C16H15N3O4 313.31
1.93
altenusin 31186-12-6 C16H16O5 288.30
2.83
R-61837 100241-46-1 C16H20N4O 284.36
1.23
SCH-38057 148749-35-3 C16H21ClN2O2 308.81
2.03
tromantadine 53783-83-8 C16H28N2O2 280.41
3.25
oseltamivir; GS-4104 196618-13-0 C16H28N2O4 312.41
3.04
oseltamivir phosphate 204255-11-8 C16H31N2O8P 410.40
2.14
loviride [both entiomers]; R89439 147362-57-0 C17H16Cl2N2O2 351.23
4.61
enviroxime 72301-79-2 C17H18N4O3S 358.42
1.01
pradefovir 625095-60-5 C17H19ClN5O4P 423.80
0.59
propamidine 104-32-5 C17H20N4O2 312.37
2.14
fosarilate 73514-87-1 C17H28ClO5P 378.83
1.75
denotivir 51287-57-1 C18H14ClN3O2S 371.85
3.20
pinafide 54824-20-3 C18H17N3O4 339.35
2.16
pleconaril; 1C8M 153168-05-9 C18H18F3N3O3 381.35
2.54
abacavir succinate 168146-84-7 C18H24N6O5 404.43
2.11
almurtide 61136-12-7 C18H30N4O11 478.45
-1.52
palmidrol 544-31-0 C18H37NO2 299.50
4.61
tecovirimat 816458-31-8 C19H15F3N2O3 376.33
2.27
alamifovir 193681-12-8 C19H20F6N5O5PS 575.42
1.39
enviradene 80883-55-2 C19H21N3O2S 355.46
1.36
WIN 54954 107355-45-3 C19H24Cl2N2O3 399.32
3.62
Ro 09-0410 76554-66-0 C19H24O5 332.40
1.95
aranotin 19885-51-9 C20H18N2O7S2 462.50
2.39
raltegravir 518048-05-0 C20H21FN6O5 444.42
1.95
disoxaril; WIN 51711 87495-31-6 C20H26N2O3 342.44
2.91
arildone 56219-57-9 C20H29ClO4 368.90
5.31
adefovir dipivoxil 142340-99-6 C20H32N5O8P 501.48
2.75
SCH-48973 146949-21-5 C21H17Cl3O3 423.72
4.72
pirodavir; R-77975 124436-59-5 C21H27N3O3 369.46
1.49
(-)-epigallocatechin gallate 989-51-5 C22H18O11 458.37
2.54
nesbuvir 691852-58-1 C22H23FN2O5S 446.50
3.86
stallimycin 636-47-5 C22H27N9O4 481.52
1.19
tomeglovir 233254-24-5 C23H27N3O4S 441.55
2.06
benzoxonium chloride 19379-90-9 C23H42ClNO2 400.05
3.45
litomeglovir 321915-31-5 C25H30N4O5S 498.60
2.06
tilorone 27591-97-5 C25H34N2O3 410.56
3.83
fosamprenavir 226700-79-4 C25H36N3O9PS 585.61
4.13
abacavir hemisulfate 188062-50-2 C26H34N12O8S 674.70
0.96
darunavir 206361-99-1 C27H37N3O7S 547.67
1.22
boceprevir 394730-60-0 C27H45N5O5 519.69
3.06
steffimycin 11033-34-4 C28H30O13 574.53
2.20
ancriviroc; SCH-351125 370893-06-4 C28H37BrN4O3 557.54
3.15
borrelidin; treponemycin 7184-60-3 C28H43NO6 489.65
4.97
KIN-006; 5'-O-tritylthymidine 7791-71-1 C29H28N2O5 484.55
4.07
droxinavir 159910-86-8 C29H51N5O4 533.76
-1.54
impacarzine 41340-39-0 C29H57N5O 491.81
1.98
hypericin 548-04-9 C30H16O8 504.44
2.69
rupintrivir 223537-30-2 C31H39FN4O7 598.67
1.85
enocitabine 55726-47-1 C31H55N3O6 565.80
6.79
mozenavir; DMP-450 174391-92-5 C33H36N4O3 536.68
2.97
brecanavir 313682-08-5 C33H41N3O10S2 703.83
2.50
lasinavir 175385-62-3 C35H53N3O9 659.82
3.56
filipin 480-49-9 C35H58O11 654.84
5.88
fozivudine tidoxil 141790-23-0 C35H63N5O8PS 744.95
3.74
fosalvudine tidoxil 763903-67-9 C35H64FN2O8PS 722.94
3.75
indinavir [hydrate] 180683-37-8 C36H47N5O4 613.80
-0.69
indinavir; MK-639; L-735,524 150378-17-9 C36H47N5O4 613.80
-0.69
telaprevir 402957-28-2 C36H53N7O6 679.86
-2.03
bevirimat 174022-42-5 C36H56O6 584.84
4.15
cicloxolone 52247-86-6 C38H56O7 624.86
4.15
ciluprevir 300832-84-2 C40H50N6O8S 774.94
-0.53
streptovarycin 1404-74-6 C40H51NO14 769.84
1.87
avridine 35607-20-6 C43H90N2O2 667.20
9.91
acemannan 110042-95-0 C66H100NO49 1691.48
1.63


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