compound 1 [Gotteland et al., 1997]

Ligand id: 6722

Name: compound 1 [Gotteland et al., 1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 68.95
Molecular weight 443.14
XLogP 9.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Gotteland JP, Dax C, Halazy S. (1997)
Design and synthesis of new potential photoaffinity labels for mammalian squalene epoxidase.
Bioorg. Med. Chem. Lett7 (9): 1153-1156.