Computational modeling, ligand-based drug design, drug-likeness and ADMET properties studies of series of chromen-2-ones analogues as anti-cancer agents

Bulletin of the National Research Centre

Table 7 Drug-likeness properties of the designed chromen-2-ones

S/nos.	MW	HBA	HBD	mlogP	SA	ABS	Lipinski violation	Drug likeness
1.	514.61	6	1	3.49	4.83	0.55	1	Yes
2.	542.67	6	1	3.86	5.07	0.55	1	Yes
3.	557.68	6	1	3.34	5.24	0.55	1	Yes
4.	529.63	6	2	2.97	4.99	0.55	1	Yes
5.	583.72	6	1	3.7	4.96	0.55	1	Yes
6.	530.61	7	1	2.97	4.51	0.55	1	Yes
7.	543.65	6	1	3.15	4.66	0.55	1	Yes
8.	571.71	6	1	3.52	4.91	0.55	1	Yes
9.	569.69	6	1	3.52	4.83	0.55	1	Yes
10.	543.65	6	1	3.15	4.7	0.55	1	Yes
11.	559.65	8	2	2.38	5.15	0.55	1	Yes
12.	587.71	7	2	2.74	5.4	0.55	1	Yes

MW, molecular weight; HBA, hydrogen bond acceptors; HBD, hydrogen bond donors; SA, synthetic accessibility; ABS, Bioavailability Score