compound 16a [Sharratt et al., 1994]

Ligand id: 3107

Name: compound 16a [Sharratt et al., 1994]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 5
Rotatable bonds 21
Topological polar surface area 246.28
Molecular weight 705.3
XLogP 5.55
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Sharratt PJ, Hutson JL, Inglis GGA, Lester MG, Procopiou PA, Watson NS. (1994)
Structurally simplified squalestatins: monocyclic 1,3-dioxane analogues.
Bioorg. Med. Chem. Lett., 4 (5): 661-666.