AM095

Ligand id: 6988

Name: AM095

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.66
Molecular weight 456.17
XLogP 9.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Swaney JS, Chapman C, Correa LD, Stebbins KJ, Broadhead AR, Bain G, Santini AM, Darlington J, King CD, Baccei CS et al.. (2011)
Pharmacokinetic and pharmacodynamic characterization of an oral lysophosphatidic acid type 1 receptor-selective antagonist.
J. Pharmacol. Exp. Ther.336 (3): 693-700. [PMID:21159750]