compound 1 [PMID: 18507370]

Ligand id: 8673

Name: compound 1 [PMID: 18507370]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 33.12
Molecular weight 247.1
XLogP 4.02
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gagnidze K, Sachchidanand, Rozenfeld R, Mezei M, Zhou MM, Devi LA. (2008)
Homology modeling and site-directed mutagenesis to identify selective inhibitors of endothelin-converting enzyme-2.
J. Med. Chem., 51 (12): 3378-87. [PMID:18507370]