ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00453
Compound NameAnticancer Withanolide PMV70-P691-047
Chemical ClassSteroids
Molecular Weight488.620
logP2.755
H-Bond Donor3.00
H-Bond Acceptor10
Caco-2 Permeability312.945
logSwat-4.927
Number of Primary Metabolites4
Polar Surface Area120.589
Rotatable Bonds5
logKhsa0.305
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.307
Blood Brain Barrier (logBB)-1.199
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1504
NPACT   -
TaxKB   -
Structure Download

 






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