ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04027
Compound Name23-Hydroxy-3-beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-oic acid
Chemical ClassSaponin
Molecular Weight736.938
logP2.399
H-Bond Donor7.00
H-Bond Acceptor18
Caco-2 Permeability5.022
logSwat-5.428
Number of Primary Metabolites8
Polar Surface Area191.039
Rotatable Bonds12
logKhsa-0.158
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.177
Blood Brain Barrier (logBB)-3.179
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00080
TaxKB   -
Structure Download

 






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