compound 12e [PMID: 18605714]

Ligand id: 8787

Name: compound 12e [PMID: 18605714]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 111.62
Molecular weight 430.15
XLogP 3.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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]