Table 1.

Top 20 screened compounds with their physicochemical and drug-likeness properties.

Compound Name	Mol. wt	cLogP	cLogS	H-Acceptors	H-Donors	Drug-Likeness	Mutagenic	Tumorigenic	Reproductive Effective	Irritant	Drug Score
ZINC42835355	608.733	6.1432	−6.513	8	2	4.6261	none	none	none	none	0.221249
ZINC17465983	546.526	4.8554	−7.85	10	6	1.0735	none	high	low	none	0.115695
ZINC05823171	436.59	4.4475	−4.742	4	2	0.4587	none	none	none	none	0.433376
ZINC05618656	470.476	4.4782	−4.586	7	6	−0.47845	none	none	high	none	0.214637
ZINC38800324	436.59	5.3389	−6.055	4	2	−0.61958	none	none	none	none	0.252781
ZINC28642721	538.463	2.9812	−6.422	10	6	−0.73675	none	none	none	none	0.257962
ZINC13384046	484.459	4.3143	−5.366	8	7	−0.75118	high	high	none	none	0.107838
ZINC33830992	442.725	6.499	−6.347	2	2	−0.95276	none	none	none	none	0.189819
ZINC32296657	438.606	4.4297	−5.029	4	1	−1.0323	none	none	none	none	0.323614
ZINC05520028	538.463	4.68	−8.842	10	6	−1.1275	none	none	none	high	0.104357
ZINC34124041	470.779	7.9297	−7.327	2	0	−3.2521	none	none	none	none	0.117694
ZINC04097720	426.726	7.5888	−6.968	1	0	−3.3053	none	none	none	none	0.132645
ZINC04722964	426.726	7.5888	−6.968	1	0	−3.3053	none	none	none	none	0.132645
ZINC08214547	576.768	3.0443	−5.279	8	4	−3.6238	none	none	none	none	0.221118
ZINC03978829	456.708	6.0021	−6.111	3	2	−3.658	none	none	none	none	0.164992
ZINC33831792	422.694	7.3798	−6.44	1	0	−4.1072	none	none	none	none	0.140914
ZINC31165761	424.71	7.4843	−6.704	1	0	−4.5197	none	none	none	none	0.134382
ZINC06041333	632.879	7.6697	−7.838	6	2	−6.334	none	none	none	none	0.082226
ZINC33831775	424.71	7.4221	−6.687	1	0	−6.4	none	none	none	none	0.133989
ZINC05884271	514.441	4.4706	−7.734	10	6	−6.6779	none	high	none	none	0.094558
DON	145.157	−2.6809	−0.868	4	2	−19.893	none	none	none	high	0.295486