ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00454
Compound NameAnticancer Withanolide PMV70-P691-048
Chemical ClassSteroids
Molecular Weight504.619
logP2.213
H-Bond Donor4.00
H-Bond Acceptor11
Caco-2 Permeability159.495
logSwat-4.698
Number of Primary Metabolites5
Polar Surface Area138.203
Rotatable Bonds6
logKhsa0.157
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.391
Blood Brain Barrier (logBB)-1.567
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1505
NPACT   -
TaxKB   -
Structure Download

 






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