AChE reactivator 2

Ligand id: 10074

Name: AChE reactivator 2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 91.88
Molecular weight 425.17
XLogP 5.39
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Santoni G, de Sousa J, de la Mora E, Dias J, Jean L, Sussman JL, Silman I, Renard PY, Brown RCD, Weik M et al.. (2018)
Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61 (17): 7630-7639. [PMID:30125110]