compound 18 [PMID: 21927650]

Ligand id: 6442

Name: compound 18 [PMID: 21927650]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 61.12
Molecular weight 270.06
XLogP 3.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Lindsley CW, Bates BS, Menon UN, Jadhav SB, Kane AS, Jones CK, Rodriguez AL, Conn PJ, Olsen CM, Winder DG et al.. (2011)
(3-Cyano-5-fluorophenyl)biaryl negative allosteric modulators of mGlu(5): Discovery of a new tool compound with activity in the OSS mouse model of addiction.
ACS Chem Neurosci, 2 (8): 471-482. [PMID:21927650]