compound 5 [PMID: 21741839]

Ligand id: 8670

Name: compound 5 [PMID: 21741839]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 15
Topological polar surface area 218.23
Molecular weight 556.26
XLogP 2.63
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Sielaff F, Böttcher-Friebertshäuser E, Meyer D, Saupe SM, Volk IM, Garten W, Steinmetzer T. (2011)
Development of substrate analogue inhibitors for the human airway trypsin-like protease HAT.
Bioorg. Med. Chem. Lett., 21 (16): 4860-4. [PMID:21741839]