compound 3 [PMID: 9003518]

Ligand id: 6720

Name: compound 3 [PMID: 9003518]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 16
Topological polar surface area 37.83
Molecular weight 446.36
XLogP 9.32
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Stach D, Zheng YF, Perez AL, Oehlschlager AC, Abe I, Prestwich GD, Hartman PG. (1997)
Synthesis and inhibition studies of sulfur-substituted squalene oxide analogues as mechanism-based inhibitors of 2,3-oxidosqualene-lanosterol cyclase.
J. Med. Chem., 40 (2): 201-9. [PMID:9003518]