List of properties

Values of calculated molecular properties for the molecule selected in the molecule list are shown in the list of properties, together with a short description of the molecular property. At the end of the property list, additional fields loaded from the molecule structure files can be displayed (when available) in blue.

 

If a molecular property can not be calculated, the corresponding value will be NaN (Not A Number) and the corresponding cell of the list will be colored in orange. At the bottom of the list, a short log is displayed for warned, not calculated or rejected molecules.