cis-10 [PMID: 15771457]

Ligand id: 6474

Name: cis-10 [PMID: 15771457]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 48.42
Molecular weight 327.18
XLogP 3.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mabire D, Coupa S, Adelinet C, Poncelet A, Simonnet Y, Venet M, Wouters R, Lesage AS, Van Beijsterveldt L, Bischoff F. (2005)
Synthesis, structure-activity relationship, and receptor pharmacology of a new series of quinoline derivatives acting as selective, noncompetitive mGlu1 antagonists.
J. Med. Chem., 48 (6): 2134-53. [PMID:15771457]