ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03219
Compound Name23-Hydroxy-3b-[(O-b-D-glucopyranosyl-(1->4)-a-L-arabinopyranosyl)oxy]lup-20(29)-en-28-oic acid
Chemical ClassTerpenoids
Molecular Weight766.965
logP1.616
H-Bond Donor8.00
H-Bond Acceptor21
Caco-2 Permeability3.341
logSwat-4.429
Number of Primary Metabolites9
Polar Surface Area208.413
Rotatable Bonds15
logKhsa-0.524
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.069
Blood Brain Barrier (logBB)-3.495
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2346
NPACT   -
TaxKB   -
Structure Download

 






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