ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05066
Compound Name3 beta-O-alpha-L-arabinopyranosyl-lup-20(29)-ene-28-O-beta-D-glucopyranosyl ester
Chemical ClassSaponin
Molecular Weight750.965
logP2.045
H-Bond Donor7.00
H-Bond Acceptor19
Caco-2 Permeability17.903
logSwat-6.031
Number of Primary Metabolites9
Polar Surface Area199.089
Rotatable Bonds13
logKhsa-0.024
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.443
Blood Brain Barrier (logBB)-3.520
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations3
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01550
TaxKB   -
Structure Download

 






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