2,2-difluoromevalonate 5-diphosphate

Ligand id: 3213

Name: 2,2-difluoromevalonate 5-diphosphate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 190.44
Molecular weight 343.99
XLogP -2.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Qiu Y, Gao J, Guo F, Qiao Y, Li D. (2007)
Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase.
Bioorg. Med. Chem. Lett.17 (22): 6164-8. [PMID:17888661]