Ligand id: 10263

Name: ML351

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 61.85
Molecular weight 249.09
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Rai G, Joshi N, Perry S, Yasgar A, Schultz L, Jung JE, Liu Y, Terasaki Y, Diaz G, Kenyon V et al.. (2010)
Discovery of ML351, a Potent and Selective Inhibitor of Human 15-Lipoxygenase-1.
Probe Reports from the NIH Molecular Libraries Program,. [PMID:24672829]