Ligand id: 7479

Name: arformoterol

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 90.82
Molecular weight 344.17
XLogP 2.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Alikhani V, Beer D, Bentley D, Bruce I, Cuenoud BM, Fairhurst RA, Gedeck P, Haberthuer S, Hayden C, Janus D et al.. (2004)
Long-chain formoterol analogues: an investigation into the effect of increasing amino-substituent chain length on the beta2-adrenoceptor activity.
Bioorg. Med. Chem. Lett., 14 (18): 4705-10. [PMID:15324892]
2. Beattie D, Bradley M, Brearley A, Charlton SJ, Cuenoud BM, Fairhurst RA, Gedeck P, Gosling M, Janus D, Jones D et al.. (2010)
A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of beta2-adrenoceptor agonists as inhaled long-acting bronchodilators.
Bioorg. Med. Chem. Lett., 20 (17): 5302-7. [PMID:20655218]