ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04971
Compound Name1,7-Bis(4-hydroxyphenyl)hepta-4E,6E-dien-3-one
Chemical ClassPolycyclic aromatic natural products
Molecular Weight294.349
logP3.556
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability331.113
logSwat-4.609
Number of Primary Metabolites4
Polar Surface Area72.517
Rotatable Bonds10
logKhsa0.288
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.488
Blood Brain Barrier (logBB)-1.662
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01406
TaxKB   -
Structure Download

 






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