compound 11d [PMID: 23981898]

Ligand id: 6946

Name: compound 11d [PMID: 23981898]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 113.02
Molecular weight 560.23
XLogP 5.89
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Rueeger H, Lueoend R, Machauer R, Veenstra SJ, Jacobson LH, Staufenbiel M, Desrayaud S, Rondeau JM, Möbitz H, Neumann U. (2013)
Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid β-peptides.
Bioorg. Med. Chem. Lett., 23 (19): 5300-6. [PMID:23981898]