compound 3 [PMID: 21310611]

Ligand id: 5724

Name: compound 3 [PMID: 21310611]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 58.64
Molecular weight 416.17
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mascitti V, Stevens BD, Choi C, McClure KF, GuimarĂ£es CR, Farley KA, Munchhof MJ, Robinson RP, Futatsugi K, Lavergne SY et al.. (2011)
Design and evaluation of a 2-(2,3,6-trifluorophenyl)acetamide derivative as an agonist of the GPR119 receptor.
Bioorg. Med. Chem. Lett., 21 (5): 1306-9. [PMID:21310611]