compound 11a [PMID: 14697765]

Ligand id: 6426

Name: compound 11a [PMID: 14697765]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 43.38
Molecular weight 304.12
XLogP 4.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Wang B, Vernier JM, Rao S, Chung J, Anderson JJ, Brodkin JD, Jiang X, Gardner MF, Yang X, Munoz B. (2004)
Discovery of novel modulators of metabotropic glutamate receptor subtype-5.
Bioorg Med Chem, 12: 17-21. [PMID:14697765]