ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00207
Compound Namemethyl 12-oxo-8alpha,15-dihydroxyabiet-13-en-19-oate
Chemical ClassUnknown
Molecular Weight364.481
logP3.859
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability699.824
logSwat-5.301
Number of Primary Metabolites3
Polar Surface Area87.335
Rotatable Bonds4
logKhsa0.737
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.873
Blood Brain Barrier (logBB)-0.774
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0527
NPACT   -
TaxKB   -
Structure Download

 






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