compound 4 [PMID: 26191369]

Ligand id: 8733

Name: compound 4 [PMID: 26191369]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 87.53
Molecular weight 417.16
XLogP 4.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Murray CW, Berdini V, Buck IM, Carr ME, Cleasby A, Coyle JE, Curry JE, Day JE, Day PJ, Hearn K et al.. (2015)
Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
ACS Med Chem Lett, 6 (7): 798-803. [PMID:26191369]