ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00316
Compound Name10alpha,13alpha,17-trihydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid gamma-lactone
Chemical ClassTerpenoids
Molecular Weight348.438
logP1.977
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability369.843
logSwat-3.346
Number of Primary Metabolites3
Polar Surface Area94.853
Rotatable Bonds3
logKhsa0.052
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.009
Blood Brain Barrier (logBB)-0.833
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0656
NPACT   -
TaxKB   -
Structure Download

 






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