ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00520
Compound Name11-Hydroxy-1-isomangostin
Chemical ClassOrganic Chemicals
Molecular Weight426.465
logP3.186
H-Bond Donor3.00
H-Bond Acceptor7
Caco-2 Permeability471.542
logSwat-4.845
Number of Primary Metabolites8
Polar Surface Area105.229
Rotatable Bonds6
logKhsa0.372
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.708
Blood Brain Barrier (logBB)-1.103
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1756
NPACT   -
TaxKB   -
Structure Download

 






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