compound 14 [PMID: 9871507]

Ligand id: 3106

Name: compound 14 [PMID: 9871507]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 20
Topological polar surface area 170.98
Molecular weight 750.32
XLogP 7.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Shen W, Garvey DS, Cohen J, Stein H, Rosenberg SH. (1998)
Cyclopentanedi- and tricarboxylic acids as squalene synthase inhibitors: syntheses and evaluation.
Bioorg. Med. Chem. Lett., 8 (8): 891-6. [PMID:9871507]