compound 16a [PMID: 14697765]

Ligand id: 6427

Name: compound 16a [PMID: 14697765]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 39.42
Molecular weight 301.12
XLogP 4.42
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]