compound 29 [PMID: 17064898]

Ligand id: 6208

Name: compound 29 [PMID: 17064898]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 78.35
Molecular weight 318.21
XLogP 1.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Owen DR, Dodd PG, Gayton S, Greener BS, Harbottle GW, Mantell SJ, Maw GN, Osborne SA, Rees H, Ringer TJ et al.. (2007)
Structure-activity relationships of novel non-competitive mGluR1 antagonists: a potential treatment for chronic pain.
Bioorg. Med. Chem. Lett., 17 (2): 486-90. [PMID:17064898]