compound 1 [PMID: 17935984]

Ligand id: 6526

Name: compound 1 [PMID: 17935984]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 102.96
Molecular weight 402.12
XLogP 2.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Freeman-Cook KD, Reiter LA, Noe MC, Antipas AS, Danley DE, Datta K, Downs JT, Eisenbeis S, Eskra JD, Garmene DJ et al.. (2007)
Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13.
Bioorg. Med. Chem. Lett.17 (23): 6529-34. [PMID:17935984]