Ligand id: 9089

Name: etomoxir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 48.06
Molecular weight 326.13
XLogP 3.96
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Agius L, Meredith EJ, Sherratt HS. (1991)
Stereospecificity of the inhibition by etomoxir of fatty acid and cholesterol synthesis in isolated rat hepatocytes.
Biochem. Pharmacol., 42 (9): 1717-20. [PMID:1930298]