compound 3b [PMID: 24946214]

Ligand id: 8618

Name: compound 3b [PMID: 24946214]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 89.87
Molecular weight 330.18
XLogP 2.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Troiano V, Scarbaci K, Ettari R, Micale N, Cerchia C, Pinto A, Schirmeister T, Novellino E, Grasso S, Lavecchia A et al.. (2014)
Optimization of peptidomimetic boronates bearing a P3 bicyclic scaffold as proteasome inhibitors.
Eur J Med Chem, 83: 1-14. [PMID:24946214]