Dup-714

Ligand id: 8760

Name: Dup-714

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 14
Topological polar surface area 183.37
Molecular weight 460.26
XLogP 1.26
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

References
1. Galemmo RA Jr., Fevig JM, Carini DJ, Cacciola J, Wells BL, Hillyer GL, Buriak J Jr., Rossi KA, Stouten PFW, Alexander RS et al.. (1996)
(N-acyl-N-alkyl)glycyl borolysine analogs: A new class of potent thrombin inhibitors.
Bioorganic & Medicinal Chemistry Letters6 (24): 2913–2918.