ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01377
Compound NameTrichothecinol A
Chemical Classunknown
Molecular Weight348.395
logP1.442
H-Bond Donor0.00
H-Bond Acceptor8
Caco-2 Permeability1089.862
logSwat-2.022
Number of Primary Metabolites6
Polar Surface Area99.463
Rotatable Bonds3
logKhsa-0.699
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.625
Blood Brain Barrier (logBB)-0.473
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01353
TaxKB   -
Structure Download

 






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