compound 4 [PMID: 16495056]

Ligand id: 8832

Name: compound 4 [PMID: 16495056]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 40.54
Molecular weight 455.28
XLogP 10.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Lafite P, Dijols S, Buisson D, Macherey AC, Zeldin DC, Dansette PM, Mansuy D. (2006)
Design and synthesis of selective, high-affinity inhibitors of human cytochrome P450 2J2.
Bioorg. Med. Chem. Lett., 16 (10): 2777-80. [PMID:16495056]