compound 1 [PMID: 24900526]

Ligand id: 7870

Name: compound 1 [PMID: 24900526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 91.85
Molecular weight 291.06
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Cobos-Correa A, Stein F, Schultz C. (2012)
Target-Activated Prodrugs (TAPs) for the Autoregulated Inhibition of MMP12.
ACS Med Chem Lett3 (8): 653-7. [PMID:24900526]