ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01397
Compound Name4beta ,7beta ,20R-trihydroxy-1-oxowitha-2,5-dien-22,26-olide
Chemical Classsteroids
Molecular Weight472.620
logP3.022
H-Bond Donor3.00
H-Bond Acceptor9
Caco-2 Permeability203.671
logSwat-5.088
Number of Primary Metabolites4
Polar Surface Area115.247
Rotatable Bonds5
logKhsa0.470
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.308
Blood Brain Barrier (logBB)-1.351
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01411
TaxKB   -
Structure Download

 






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