ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04447
Compound NameHederagenin 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside
Chemical ClassSaponin
Molecular Weight736.938
logP2.581
H-Bond Donor7.00
H-Bond Acceptor18
Caco-2 Permeability6.979
logSwat-5.729
Number of Primary Metabolites8
Polar Surface Area193.249
Rotatable Bonds11
logKhsa-0.089
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.196
Blood Brain Barrier (logBB)-2.985
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations3
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00654
TaxKB   -
Structure Download

 






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