compound 4a [Marquart et al., 1994]

Ligand id: 6707

Name: compound 4a [Marquart et al., 1994]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 23.47
Molecular weight 295.29
XLogP 6.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Marquart AL, Schatzman GL, Peet NP, Moore WR, Huber EW, Gallion SL, Angelastro MR. (1994)
Inhibition of oxidosqualene cyclase by substituted quinolizidines.
Bioorg. Med. Chem. Lett., 4 (11): 1317-1318.