ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00734
Compound Name2-pyrrolidinone
Chemical ClassOxygen heterocycles
Molecular Weight85.105
logP-0.659
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability539.363
logSwat1.108
Number of Primary Metabolites1
Polar Surface Area45.832
Rotatable Bonds0
logKhsa-1.061
Number of Reactive Functional Groups0
Number of Amides1
Number of Amines0
Number of Acids0
loghERG-0.927
Blood Brain Barrier (logBB)-0.125
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2332
NPACT   -
TaxKB   -
Structure Download

 






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