ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03129
Compound Name(-)-Epigallocatechin 3-O-gallate
Chemical ClassOxygen heterocycles
Molecular Weight458.378
logP-0.356
H-Bond Donor8.00
H-Bond Acceptor9
Caco-2 Permeability0.765
logSwat-3.452
Number of Primary Metabolites10
Polar Surface Area218.595
Rotatable Bonds10
logKhsa-0.439
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.602
Blood Brain Barrier (logBB)-4.404
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2179
NPACT   -
TaxKB   -
Structure Download

 






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