ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04072
Compound Name3-O-[beta-D-glucopyranosyl(1->2)-beta-D-glucuronopyranosyl]olean-12-en-3-beta,22-beta,24-triol
Chemical ClassTerpenoids
Molecular Weight782.964
logP0.781
H-Bond Donor8.00
H-Bond Acceptor21
Caco-2 Permeability0.714
logSwat-4.197
Number of Primary Metabolites10
Polar Surface Area240.988
Rotatable Bonds14
logKhsa-0.585
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-2.797
Blood Brain Barrier (logBB)-4.073
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00141
TaxKB   -
Structure Download

 






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