ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05076
Compound Name[3-O-beta-D-glucopyranosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl echinocistycacid]
Chemical ClassSaponin
Molecular Weight913.107
logP0.666
H-Bond Donor9.00
H-Bond Acceptor27
Caco-2 Permeability0.460
logSwat-5.228
Number of Primary Metabolites11
Polar Surface Area273.805
Rotatable Bonds17
logKhsa-0.911
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.933
Blood Brain Barrier (logBB)-5.209
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01563
TaxKB   -
Structure Download

 






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