ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04203
Compound NameBarbaloin
Chemical ClassPolycyclic aromatic natural products
Molecular Weight418.399
logP-0.356
H-Bond Donor5.00
H-Bond Acceptor12
Caco-2 Permeability12.401
logSwat-2.618
Number of Primary Metabolites11
Polar Surface Area180.749
Rotatable Bonds9
logKhsa-0.614
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.618
Blood Brain Barrier (logBB)-2.739
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00313
TaxKB   -
Structure Download

 






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