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

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.