neostigmine

Ligand id: 8993

Name: neostigmine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 29.54
Molecular weight 223.14
XLogP 1.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kavitha CV, Gaonkar SL, Narendra Sharath Chandra JN, Sadashiva CT, Rangappa KS. (2007)
Synthesis and screening for acetylcholinesterase inhibitor activity of some novel 2-butyl-1,3-diaza-spiro[4,4]non-1-en-4-ones: derivatives of irbesartan key intermediate.
Bioorg. Med. Chem.15 (23): 7391-8. [PMID:17888667]