Table 2.

Synthetic feasibility and similarity of the 17 selected molecules with ZINC and ChEMBL compounds.

Name	Synthetic feasibility¥	ChEMBL ID	Similarity Score (Tanimoto)	ZINC ID	Similarity Score (Tanimoto)
MP-In1	4.98	CHEMBL1744037	0.530	ZINC19582044	0.907
MP-In2	5.58	CHEMBL2179016	0.171	ZINC72342120	0.304
MP-In3	4.3	CHEMBL1760664	0.337	ZINC72340395	0.793
MP-In4	4.6	CHEMBL3128188	0.248	ZINC19656462	0.272
MP-In5	4.31	CHEMBL463225	0.539	ZINC72337341	0.405
MP-In6	4.85	CHEMBL472125	0.127	ZINC72356404	0.911
MP-In7	4.82	CHEMBL126780	0.137	ZINC05097750	0.399
MP-In8	3.9	CHEMBL2403868	0.219	ZINC76893596	0.501
MP-In9	4.6	CHEMBL3128188	0.248	ZINC19656462	0.272
MP-In10	4.85	CHEMBL1092573	0.255	ZINC91486444	0.957
MP-In11	5.1	CHEMBL113436	0.374	ZINC20118875	0.748
MP-In12	4.6	CHEMBL115600	0.531	ZINC00571472	0.859
MP-In13	5.59	none	none	ZINC72410748	0.250
MP-In14	5	CHEMBL2029718	0.628	ZINC67967404	0.956
MP-In15	4.98	CHEMBL1744037	0.530	ZINC19582044	0.907
MP-In16	5.35	CHEMBL327990	0.120	ZINC79021439	0.215
MP-In17	4.42	CHEMBL2387076	0.305	ZINC33126995	0.835

^¥Value ranges from 1 to 10, a value of 1 indicates easily synthesizable, while 10 indicates very difficult to synthesize.