atomoxetine

Ligand id: 7118

Name: atomoxetine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 21.26
Molecular weight 255.16
XLogP 5.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Carlier PR, Lo MM, Lo PC, Richelson E, Tatsumi M, Reynolds IJ, Sharma TA. (1998)
Synthesis of a potent wide-spectrum serotonin-, norepinephrine-, dopamine-reuptake inhibitor (SNDRI) and a species-selective dopamine-reuptake inhibitor based on the gamma-amino alcohol functional group.
Bioorg. Med. Chem. Lett.8 (5): 487-92. [PMID:9871604]