analog 3 [Vlattas et al., 1996]

Ligand id: 7994

Name: analog 3 [Vlattas et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 173.45
Molecular weight 293.01
XLogP -3.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Vlattas I, Dellureficio J, Ku E, Bohacek R, Zhang X. (1996)
Inhibition of mevalonate 5-pyrophosphate decarboxylase by a proline-containing transition state analog.
Bioorg. Med. Chem. Lett.6 (17): 2091-2096.