ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00345
Compound Name14beta,15beta-Epoxy-3beta-hydroxy-9-oxo-11(10->8)-abeolanosta-24-trans-en-26-oic acid
Chemical ClassUnknown
Molecular Weight486.690
logP4.675
H-Bond Donor2.00
H-Bond Acceptor8
Caco-2 Permeability62.828
logSwat-6.183
Number of Primary Metabolites4
Polar Surface Area100.097
Rotatable Bonds6
logKhsa0.727
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.457
Blood Brain Barrier (logBB)-1.415
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0790
NPACT   -
TaxKB   -
Structure Download

 






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