benzquinamide

Ligand id: 7124

Name: benzquinamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 68.31
Molecular weight 404.23
XLogP 1.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Auerbach SS, DrugMatrix® and ToxFX® Coordinator National Toxicology Program. 
National Toxicology Program: Dept of Health and Human Services.
Accessed on 02/05/2014. Modified on 02/05/2014. DrugMatrix, https://ntp.niehs.nih.gov/drugmatrix/index.html
2. Gregori-PuigjanĂ© E, Setola V, Hert J, Crews BA, Irwin JJ, Lounkine E, Marnett L, Roth BL, Shoichet BK. (2012)
Identifying mechanism-of-action targets for drugs and probes.
Proc. Natl. Acad. Sci. U.S.A.109 (28): 11178-83. [PMID:22711801]