ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03153
Compound Name04'-Ethyl-3?,4?-deoxypsorospermin-3?,4?-diol
Chemical ClassUnknown
Molecular Weight386.401
logP3.573
H-Bond Donor1.00
H-Bond Acceptor6
Caco-2 Permeability701.687
logSwat-5.308
Number of Primary Metabolites5
Polar Surface Area96.688
Rotatable Bonds7
logKhsa0.346
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.730
Blood Brain Barrier (logBB)-1.132
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2224
NPACT   -
TaxKB   -
Structure Download

 






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