compound 11 [PMID: 16413183]

Ligand id: 8493

Name: compound 11 [PMID: 16413183]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 7
Topological polar surface area 208.69
Molecular weight 487.15
XLogP 1.48
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Young WB, Rai R, Shrader WD, Burgess-Henry J, Hu H, Elrod KC, Sprengeler PA, Katz BA, Sukbuntherng J, Mordenti J. (2006)
Small molecule inhibitors of plasma kallikrein.
Bioorg. Med. Chem. Lett., 16 (7): 2034-6. [PMID:16413183]