compound 12e [PMID: 22266036]

Ligand id: 6357

Name: compound 12e [PMID: 22266036]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 82.7
Molecular weight 363.1
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bennett CE, Burnett DA, Greenlee WJ, Knutson CE, Korakas P, Li C, Tulshian D, Wu WL, Bertorelli R, Fredduzzi S et al.. (2012)
Fused tricyclic mGluR1 antagonists for the treatment of neuropathic pain.
Bioorg. Med. Chem. Lett., 22 (4): 1575-8. [PMID:22266036]