Ligand id: 8566


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 20
Topological polar surface area 208.07
Molecular weight 500.25
XLogP -0.4
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Chu W, Rothfuss J, Chu Y, Zhou D, Mach RH. (2009)
Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6.
J. Med. Chem., 52 (8): 2188-91. [PMID:19326941]