compound 12e [PMID: 18605714]

Ligand id: 8787

Name: compound 12e [PMID: 18605714]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 111.62
Molecular weight 430.15
XLogP 5.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Oslund RC, Cermak N, Gelb MH. (2008)
Highly specific and broadly potent inhibitors of mammalian secreted phospholipases A2.
J. Med. Chem., 51 (15): 4708-14. [PMID:18605714]