ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02312
Compound Name3-Oxo-olean-12-en-29-oic acid
Chemical ClassTerpenoids
Molecular Weight454.692
logP6.145
H-Bond Donor1.00
H-Bond Acceptor4
Caco-2 Permeability412.495
logSwat-6.589
Number of Primary Metabolites3
Polar Surface Area64.226
Rotatable Bonds1
logKhsa1.375
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.264
Blood Brain Barrier (logBB)-0.168
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1019
NPACT   -
TaxKB   -
Structure Download

 






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