compound 12 [PMID: 19800804]

Ligand id: 6989

Name: compound 12 [PMID: 19800804]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 83.91
Molecular weight 297.06
XLogP 4.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Fells JI, Tsukahara R, Liu J, Tigyi G, Parrill AL. (2009)
Structure-based drug design identifies novel LPA3 antagonists.
Bioorg. Med. Chem.17 (21): 7457-64. [PMID:19800804]