compound 7u [PMID: 24775305]

Ligand id: 8633

Name: compound 7u [PMID: 24775305]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 134.75
Molecular weight 464.21
XLogP 3.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Higgins C, Bouazzaoui S, Gaddale K, D'Costa Z, Templeman A, O'Rourke M, Young A, Scott C, Harrison T, Mullan P et al.. (2014)
P3 SAR exploration of biphenyl carbamate based Legumain inhibitors.
Bioorg. Med. Chem. Lett., 24 (11): 2521-4. [PMID:24775305]