ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01210
Compound NameNeryl acetate
Chemical ClassTerpenoids
Molecular Weight196.289
logP3.322
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability1571.294
logSwat-4.220
Number of Primary Metabolites6
Polar Surface Area41.174
Rotatable Bonds5
logKhsa0.342
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.331
Blood Brain Barrier (logBB)-0.545
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00814
TaxKB   -
Structure Download

 






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