ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04001
Compound Name12-O-Methylvolkensin
Chemical ClassTerpenoids
Molecular Weight600.748
logP4.382
H-Bond Donor1.00
H-Bond Acceptor11
Caco-2 Permeability1206.577
logSwat-5.413
Number of Primary Metabolites6
Polar Surface Area112.299
Rotatable Bonds5
logKhsa0.625
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.296
Blood Brain Barrier (logBB)-0.605
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00041
TaxKB   -
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.