Table 1.

Size classes of molecules and their definitions

Class	Criteria	Total count in the Mcule database	Reference
Fragment	MW ≤ 250	166.458	[38]
	logP ≤ 3.5
	rotB ≤ 5
Leadlike	250 ≤ MW ≤ 350	1.234.403	[39]
	logP ≤ 3.5
	rotB ≤ 7
Druglike	150 ≤ MW ≤ 500	3.745.649	[40]
	logP ≤ 5
	rotB ≤ 7
	PSA < 150
	HBD ≤ 5
	HBA ≤ 10