Function getProperties

  • getProperties(molecule, options?): {
        acceptorCount: any;
        donorCount: any;
        logP: any;
        logS: any;
        mf: string;
        mw: number;
        polarSurfaceArea: any;
        rotatableBondCount: any;
        stereoCenterCount: any;
    }

  • Parameters

    • molecule: Molecule
    • Optional options: {
          includeDruglikeness: undefined | boolean;
          includeToxicities: undefined | boolean;
      } = {}
      • includeDruglikeness: undefined | boolean
      • includeToxicities: undefined | boolean

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

    • acceptorCount: any
    • donorCount: any
    • logP: any
    • logS: any
    • mf: string
    • mw: number
    • polarSurfaceArea: any
    • rotatableBondCount: any
    • stereoCenterCount: any

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