openchemlib-utils
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    Function getProperties

    • Parameters

      • molecule: Molecule
      • Optionaloptions: { includeDruglikeness?: boolean; includeToxicities?: boolean } = {}

      Returns {
          acceptorCount: any;
          donorCount: any;
          logP: any;
          logS: any;
          mf: string;
          mw: number;
          polarSurfaceArea: any;
          rotatableBondCount: any;
          stereoCenterCount: any;
      }

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