compound 3 [PMID: 24900526]

Ligand id: 7868

Name: compound 3 [PMID: 24900526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 8
Rotatable bonds 36
Topological polar surface area 355.56
Molecular weight 1076.45
XLogP 6.71
No. Lipinski's rules broken 4

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]