alpha-ketothiazole analogue 36

Ligand id: 6549

Name: alpha-ketothiazole analogue 36

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 8
Rotatable bonds 23
Topological polar surface area 277.05
Molecular weight 722.23
XLogP 0.68
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Maryanoff BE, Costanzo MJ. (2008)
Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality.
Bioorg. Med. Chem., 16 (4): 1562-95. [PMID:18053726]