casp 4 inhib

Ligand id: 8635

Name: casp 4 inhib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 80.52
Molecular weight 206.03
XLogP 1.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Lee D, Long SA, Murray JH, Adams JL, Nuttall ME, Nadeau DP, Kikly K, Winkler JD, Sung CM, Ryan MD et al.. (2001)
Potent and selective nonpeptide inhibitors of caspases 3 and 7.
J. Med. Chem., 44 (12): 2015-26. [PMID:11384246]