Ligand id: 6687

Name: tacrine

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 38.91
Molecular weight 198.12
XLogP 2.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Butini S, Campiani G, Borriello M, Gemma S, Panico A, Persico M, Catalanotti B, Ros S, Brindisi M, Agnusdei M et al.. (2008)
Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors.
J. Med. Chem., 51 (11): 3154-70. [PMID:18479118]
2. Sowell Sr JW, Tang Y, Valli MJ, Chapman Jr JM, Usher LA, Vaughan CM, Kosh JW. (1992)
Synthesis and cholinergic properties of bis[[(dimethylamino)methyl]furanyl] analogues of ranitidine.
J. Med. Chem., 35 (6): 1102-8. [PMID:1552502]