Ligand id: 9668

Name: JFD00064

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 47.58
Molecular weight 418.15
XLogP 8.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Pascual I, Valiente PA, García G, Valdés-Tresanco ME, Arrebola Y, Díaz L, Bounaadja L, Uribe RM, Pacheco MC, Florent I et al.. (2017)
Discovery of novel non-competitive inhibitors of mammalian neutral M1 aminopeptidase (APN).
Biochimie, 142: 216-225. [PMID:28964831]