Ligand Designer - Filter by Property Value Dialog Box

Filter the results of the enumeration of a lead by requiring the values of chosen properties to fall within a given range.

To open this dialog box, click the Property Filter button in the Modify lead banner opened from the Ligand Designer Panel.

Ligand Designer - Filter by Property Value Dialog Box Features

Add Property button

Add a rule for a molecular property. Opens the Choose Property dialog box to choose the property. The rule is added when you click OK.

Rule features

Each rule has these features:

  • a checkbox at the left, to activate or deactivate the rule,
  • the property name,
  • an option menu to choose the condition (less than, between, greater than),
  • one or two text boxes to specify the limits of the range,
  • a task button menu from which you can reset the values for the rule to the defaults or remove the rule.
Reset All Criteria button

Reset the values for all of the listed rules to their default values.