- getProperties(
molecule: Molecule,
options?: { includeDruglikeness?: boolean; includeToxicities?: boolean },
): {
acceptorCount: any;
donorCount: any;
logP: any;
logS: any;
mf: string;
mw: number;
polarSurfaceArea: any;
rotatableBondCount: any;
stereoCenterCount: any;
} 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;
}