compound 1 [PMID: 18507370]

Ligand id: 8673

Name: compound 1 [PMID: 18507370]

Structure and Physico-chemical Properties

2D Structure
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 5.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
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]