compound III [PMID: 24080463]

Ligand id: 8825

Name: compound III [PMID: 24080463]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 29
Topological polar surface area 49.88
Molecular weight 670.54
XLogP 8.06
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Ho SS, Go ML. (2013)
Restraining the flexibility of the central linker in terameprocol results in constrained analogs with improved growth inhibitory activity.
Bioorg. Med. Chem. Lett., 23 (22): 6127-33. [PMID:24080463]
2. Huang RC, Kimura K. (2011)
Suppression of cancer growth and metastasis using nordihydroguaiaretic acid derivatives with metabolic modulators.
Patent number: US20110014192 A1. Assignee: The Johns Hopkins University. Priority date: 08/01/2008. Publication date: 20/01/2011.