Ligand id: 7321

Name: venlafaxine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 32.7
Molecular weight 277.2
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Sabatucci JP, Mahaney PE, Leiter J, Johnston G, Burroughs K, Cosmi S, Zhang Y, Ho D, Deecher DC, Trybulski E. (2010)
Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors.
Bioorg. Med. Chem. Lett., 20 (9): 2809-12. [PMID:20378347]