compound 6 [Biller et al., 1991]

Ligand id: 3132

Name: compound 6 [Biller et al., 1991]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 123.68
Molecular weight 394.17
XLogP 2.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Biller SA, Sofia MJ, DeLange B, Forster C, Gordon EM, Harrity T, Rich LC, Ciosek Jr CP. (1991)
The First Potent Inhibitor of Squalene Synthase: A Profound Contribution of an Ether Oxygen to Inhibitor-Enzyme Interaction.
J. Am. Chem. SOC113 (22): 8522-8524.