Ligand id: 8821

Name: MT47-100

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 93.81
Molecular weight 345.1
XLogP 5.7
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Scott JW, Galic S, Graham KL, Foitzik R, Ling NX, Dite TA, Issa SM, Langendorf CG, Weng QP, Thomas HE et al.. (2015)
Inhibition of AMP-Activated Protein Kinase at the Allosteric Drug-Binding Site Promotes Islet Insulin Release.
Chem. Biol., 22 (6): 705-11. [PMID:26091167]