compound 30 [PMID: 21757343]

Ligand id: 6407

Name: compound 30 [PMID: 21757343]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 74.33
Molecular weight 383.09
XLogP 4.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Weiss JM, Jimenez HN, Li G, April M, Uberti MA, Bacolod MD, Brodbeck RM, Doller D. (2011)
6-Aryl-3-pyrrolidinylpyridines as mGlu5 receptor negative allosteric modulators.
Bioorg. Med. Chem. Lett., 21 (16): 4891-9. [PMID:21757343]