compound 1b [PMID: 9871762]

Ligand id: 8794

Name: compound 1b [PMID: 9871762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 86.47
Molecular weight 474.2
XLogP 5.79
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Gotteland JP, Loubat C, Planty B, Junquéro D, Delhon A, Halazy S. (1998)
Sulfonamide derivatives of benzylamine block cholesterol biosynthesis in HepG2 cells: a new type of potent squalene epoxidase inhibitors.
Bioorg. Med. Chem. Lett., 8 (11): 1337-42. [PMID:9871762]