compound 29 [PMID: 1527791]

Ligand id: 3029

Name: compound 29 [PMID: 1527791]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 93.06
Molecular weight 408.25
XLogP 3.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bone EA, Davidson AH, Lewis CN, Todd RS. (1992)
Synthesis and biological evaluation of dihydroeptastatin, a novel inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
J. Med. Chem., 35 (18): 3388-93. [PMID:1527791]