ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00786
Compound Name7,8-didehydro-25-anhydrocimigenol-3-O-beta-d-xylopyranoside
Chemical ClassTerpenoids
Molecular Weight600.791
logP3.889
H-Bond Donor4.00
H-Bond Acceptor12
Caco-2 Permeability402.588
logSwat-6.018
Number of Primary Metabolites7
Polar Surface Area110.346
Rotatable Bonds7
logKhsa0.656
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.501
Blood Brain Barrier (logBB)-1.284
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2524
NPACT   -
TaxKB   -
Structure Download

 






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