compound 4 [PMID: 18163548]

Ligand id: 6545

Name: compound 4 [PMID: 18163548]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 14
Topological polar surface area 203.08
Molecular weight 477.17
XLogP 0.9
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Frederickson M, Callaghan O, Chessari G, Congreve M, Cowan SR, Matthews JE, McMenamin R, Smith DM, Vinković M, Wallis NG. (2008)
Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of urokinase-type plasminogen activator.
J. Med. Chem., 51 (2): 183-6. [PMID:18163548]