compound 3 [PMID: 23849879]

Ligand id: 8488

Name: compound 3 [PMID: 23849879]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 86.69
Molecular weight 279.11
XLogP 3.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Tan X, Furio L, Reboud-Ravaux M, Villoutreix BO, Hovnanian A, El Amri C. (2013)
1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases.
Bioorg. Med. Chem. Lett.23 (16): 4547-51. [PMID:23849879]