alkyl OMPT

Ligand id: 2913

Name: alkyl OMPT

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 22
Topological polar surface area 110.05
Molecular weight 452.27
XLogP 8.68
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Qian L, Xu Y, Simper T, Jiang G, Aoki J, Umezu-Goto M, Arai H, Yu S, Mills GB, Tsukahara R et al.. (2006)
Phosphorothioate analogues of alkyl lysophosphatidic acid as LPA3 receptor-selective agonists.
ChemMedChem, 1 (3): 376-83. [PMID:16892372]