Ligand id: 5872

Name: JMV3008

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 109.98
Molecular weight 603.3
XLogP 7.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Moulin A, Demange L, BergĂ© G, Gagne D, Ryan J, Mousseaux D, Heitz A, Perrissoud D, Locatelli V, Torsello A et al.. (2007)
Toward potent ghrelin receptor ligands based on trisubstituted 1,2,4-triazole structure. 2. Synthesis and pharmacological in vitro and in vivo evaluations.
J. Med. Chem., 50 (23): 5790-806. [PMID:17927165]