ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04573
Compound NameOlean-12-en-2-alpha,3-beta-diol
Chemical ClassTerpenoids
Molecular Weight442.724
logP6.017
H-Bond Donor2.00
H-Bond Acceptor3
Caco-2 Permeability1736.164
logSwat-7.434
Number of Primary Metabolites4
Polar Surface Area41.787
Rotatable Bonds2
logKhsa1.647
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.897
Blood Brain Barrier (logBB)-0.280
CNS Permeability0
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00826
TaxKB   -
Structure Download

 






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