ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04441
Compound NameHederagenin 28-O-beta-D-glucopyranosyl ester
Chemical ClassSaponin
Molecular Weight634.849
logP2.533
H-Bond Donor6.00
H-Bond Acceptor14
Caco-2 Permeability42.937
logSwat-5.098
Number of Primary Metabolites8
Polar Surface Area159.551
Rotatable Bonds10
logKhsa0.320
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.243
Blood Brain Barrier (logBB)-2.414
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00648
TaxKB   -
Structure Download

 






Copyright © 2018. Subhash M. Agarwal. All Rights Reserved.