compound 14 [PMID: 21155570]

Ligand id: 6323

Name: compound 14 [PMID: 21155570]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 92.14
Molecular weight 479.1
XLogP 7.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A et al.. (2011)
Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats.
J. Med. Chem., 54 (1): 342-53. [PMID:21155570]