compound 2 [Maurer et al., 2012]

Ligand id: 8823

Name: compound 2 [Maurer et al., 2012]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 94.64
Molecular weight 405.99
XLogP 3.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Maurer B, Rumpf T, Scharfe M, Stolfa DA, Schmitt ML, He W, Verdin E, Sippl W, Jung M. (2012)
Inhibitors of the NAD+-Dependent Protein Desuccinylase and Demalonylase Sirt5.
ACS Med Chem Lett.3: 1050-1053.