compound 33 [PMID: 19364658]

Ligand id: 8163

Name: compound 33 [PMID: 19364658]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 134.41
Molecular weight 338.1
XLogP 1.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Lovering F, Kirincich S, Wang W, Combs K, Resnick L, Sabalski JE, Butera J, Liu J, Parris K, Telliez JB. (2009)
Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2).
Bioorg. Med. Chem.17 (9): 3342-51. [PMID:19364658]