compound 1c [Brown et al., 1997]

Ligand id: 3105

Name: compound 1c [Brown et al., 1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 49.77
Molecular weight 367.21
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Brown GR, Foubister AJ, Freeman S, McTaggart F, Mirrlees DJ, Reid AC, Smith GJ, Taylor MJ, Thomason DA, Whittamore PRO. (1997)
Novel optimised quinuclidine squalene synthase inhibitors.
Bioorg. Med. Chem. Lett.7 (5): 597-600.