ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02644
Compound NameHecogenin 3-O-beta-D-xylopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->2)-(beta-D-xylopyranosyl-(1->3))-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
Chemical ClassSteroids
Molecular Weight1181.284
logP-4.669
H-Bond Donor14.00
H-Bond Acceptor44
Caco-2 Permeability0.153
logSwat-2.701
Number of Primary Metabolites15
Polar Surface Area405.692
Rotatable Bonds27
logKhsa-3.121
Number of Reactive Functional Groups6
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.671
Blood Brain Barrier (logBB)-8.326
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1447
NPACT   -
TaxKB   -
Structure Download

 






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