compound 2 [PMID: 3351860]

Ligand id: 8807

Name: compound 2 [PMID: 3351860]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 3.88
Molecular weight 246.13
XLogP 7.99
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gray AP, Platz RD, Henderson TR, Chang TC, Takahashi K, Dretchen KL. (1988)
Approaches to protection against nerve agent poisoning. (Naphthylvinyl)pyridine derivatives as potential antidotes.
J. Med. Chem., 31 (4): 807-14. [PMID:3351860]