compound 30 [PMID: 22239545]

Ligand id: 8749

Name: compound 30 [PMID: 22239545]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 66.87
Molecular weight 255.08
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Foti RS, Rock DA, Han X, Flowers RA, Wienkers LC, Wahlstrom JL. (2012)
Ligand-based design of a potent and selective inhibitor of cytochrome P450 2C19.
J. Med. Chem., 55 (3): 1205-14. [PMID:22239545]