compound 15 [PMID: 22017539]

Ligand id: 8636

Name: compound 15 [PMID: 22017539]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 126.31
Molecular weight 446.16
XLogP 3.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Taylor SJ, Abeywardane A, Liang S, Muegge I, Padyana AK, Xiong Z, Hill-Drzewi M, Farmer B, Li X, Collins B et al.. (2011)
Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54 (23): 8174-87. [PMID:22017539]