ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01293
Compound Name2-methyl-1,3,6-trihydroxyanthraquinone
Chemical ClassPolycyclic aromatic natural products
Molecular Weight270.241
logP0.765
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability83.366
logSwat-2.748
Number of Primary Metabolites4
Polar Surface Area115.520
Rotatable Bonds3
logKhsa-0.275
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.344
Blood Brain Barrier (logBB)-1.506
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01074
TaxKB   -
Structure Download

 






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