almorexant

Ligand id: 2886

Name: almorexant

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 50.8
Molecular weight 512.23
XLogP 8.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Brisbare-Roch C, Dingemanse J, Koberstein R, Hoever P, Aissaoui H, Flores S, Mueller C, Nayler O, van Gerven J, de Haas SL, Hess P, Qiu C, Buchmann S, Scherz M, Weller T, Fischli W, Clozel M, Jenck F. (2007)
Promotion of sleep by targeting the orexin system in rats, dogs and humans.
Nat. Med.13 (2): 150-5. [PMID:17259994]