ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02461
Compound Name5,3'-Dipropanoyloxy-3,6,7,4'-tetrame-thoxyflavone
Chemical ClassFlavonoids
Molecular Weight486.474
logP2.957
H-Bond Donor0.00
H-Bond Acceptor11
Caco-2 Permeability687.679
logSwat-4.334
Number of Primary Metabolites6
Polar Surface Area131.747
Rotatable Bonds8
logKhsa-0.305
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.455
Blood Brain Barrier (logBB)-1.227
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1222
NPACT   -
TaxKB   -
Structure Download

 






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