compound 57 [PMID: 16610804]

Ligand id: 8771

Name: compound 57 [PMID: 16610804]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 18
Topological polar surface area 104.06
Molecular weight 523.26
XLogP 7.05
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Ludwig J, Bovens S, Brauch C, Elfringhoff AS, Lehr M. (2006)
Design and synthesis of 1-indol-1-yl-propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha.
J. Med. Chem.49 (8): 2611-20. [PMID:16610804]