Ligand id: 2908

Name: VPC32183

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 25
Topological polar surface area 127.79
Molecular weight 602.35
XLogP 8.32
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Heasley BH, Jarosz R, Lynch KR, Macdonald TL. (2004)
Initial structure-activity relationships of lysophosphatidic acid receptor antagonists: discovery of a high-affinity LPA1/LPA3 receptor antagonist.
Bioorg. Med. Chem. Lett., 14 (11): 2735-40. [PMID:15125924]