compound 6e [PMID: 25614116 ]

Ligand id: 8262

Name: compound 6e [PMID: 25614116 ]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 91.29
Molecular weight 448.15
XLogP 5.57
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cai J, Liu L, Hong KH, Wang P, Li L, Cao M, Sun C, Wu X, Zong X, Chen J et al.. (2015)
Discovery of phenoxybutanoic acid derivatives as potent endothelin antagonists with antihypertensive activity.
Bioorg. Med. Chem., 23 (4): 657-67. [PMID:25614116]