ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01033
Compound Name3-methoxy-4-hydroxybenzoic acid
Chemical ClassFlavonoids
Molecular Weight168.149
logP1.043
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability74.542
logSwat-1.416
Number of Primary Metabolites2
Polar Surface Area80.358
Rotatable Bonds3
logKhsa-0.741
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-1.623
Blood Brain Barrier (logBB)-0.902
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00132
TaxKB   -
Structure Download

 






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