compound 2a (+) [PMID: 8709131]

Ligand id: 3102

Name: compound 2a (+) [PMID: 8709131]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 23.47
Molecular weight 279.16
XLogP 6.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Brown GR, Clarke DS, Foubister AJ, Freeman S, Harrison PJ, Johnson MC, Mallion KB, McCormick J, McTaggart F, Reid AC et al.. (1996)
Synthesis and activity of a novel series of 3-biarylquinuclidine squalene synthase inhibitors.
J. Med. Chem., 39 (15): 2971-9. [PMID:8709131]