Table 13.

Drug likeness parameters of 5-benzyl-4-thiazolinone derivatives appraised by Lipinski, Pfizer, GSK, and Golden Triangle rules.

S/N	MW	Dense	LogS	LogD	LogP	nHA	nHD	nRot	TPSA	Lipinski	Pfizer	GSK	Golden Triangle
1	389.05	1.086	-4.361	2.891	2.747	7	2	5	104.11	Accepted	Accepted	Accepted	Accepted
2	389.05	1.086	-3.832	2.294	2.513	7	2	5	104.11	Accepted	Accepted	Accepted	Accepted
3	403.07	1.073	-4.763	2.766	2.919	7	1	6	93.11	Accepted	Accepted	Rejected	Accepted
4	391.05	1.1	-4.683	2.616	2.966	6	1	5	83.88	Accepted	Accepted	Accepted	Accepted
5	407.02	1.116	-4.84	3.169	3.46	6	1	5	83.88	Accepted	Accepted	Rejected	Accepted
6	417.05	1.092	-3.91	1.928	2.762	8	2	6	121.18	Accepted	Accepted	Rejected	Accepted
7	431.06	1.08	-4.877	2.483	2.99	8	1	7	110.18	Accepted	Accepted	Rejected	Accepted
8	430.08	1.072	-4.723	2.392	2.329	8	2	7	112.98	Accepted	Accepted	Rejected	Accepted
9	389.05	1.086	-4.003	2.675	2.461	7	2	5	104.11	Accepted	Accepted	Accepted	Accepted
10	419.06	1.09	-4.697	2.671	2.588	8	2	6	113.34	Accepted	Accepted	Rejected	Accepted
11	419.06	1.09	-4.455	2.605	2.401	8	2	6	113.34	Accepted	Accepted	Rejected	Accepted
12	405.05	1.103	-3.659	2.663	2.487	8	3	5	124.34	Accepted	Accepted	Rejected	Accepted
13	405.05	1.103	-3.716	2.378	2.187	8	3	5	124.34	Accepted	Accepted	Rejected	Accepted
14	479.02	1.168	-4.292	2.208	2.73	13	2	7	190.39	Accepted	Accepted	Rejected	Accepted
15	391.03	1.118	-2.965	1.474	1.778	8	3	4	124.34	Accepted	Accepted	Accepted	Accepted
16	405.05	1.103	-4.305	2.342	2.025	8	2	5	113.34	Accepted	Accepted	Rejected	Accepted
17	447.09	1.067	-4.842	2.81	3.071	8	2	6	113.34	Accepted	Accepted	Rejected	Accepted
18	403.07	1.073	-4.375	2.943	2.788	7	2	5	104.11	Accepted	Accepted	Rejected	Accepted
19	433.08	1.078	-4.976	2.926	2.949	8	2	6	113.34	Accepted	Accepted	Rejected	Accepted
20	419.06	1.09	-4.033	2.565	2.483	8	3	5	124.34	Accepted	Accepted	Rejected	Accepted
21	433.08	1.078	-4.725	2.854	2.704	8	2	6	113.34	Accepted	Accepted	Rejected	Accepted
22	463.09	1.082	-5.097	2.663	2.604	9	2	7	122.57	Accepted	Accepted	Rejected	Accepted
23	447.09	1.067	-4.771	3.128	3.211	8	2	8	113.34	Accepted	Accepted	Rejected	Accepted
24	418.04	1.113	-4.531	2.731	2.512	9	1	7	127.02	Accepted	Accepted	Rejected	Accepted
25	388.07	1.076	-3.81	1.918	2.093	7	3	6	109.9	Accepted	Accepted	Accepted	Accepted
26	417.05	1.092	-3.795	1.806	2.516	8	2	7	121.18	Accepted	Accepted	Rejected	Accepted
27	389.05	1.086	-3.592	2.595	2.271	7	2	6	104.11	Accepted	Accepted	Accepted	Accepted
28	419.06	1.09	-4.484	2.585	2.383	8	2	7	113.34	Accepted	Accepted	Rejected	Accepted
29	419.06	1.09	-4.012	2.195	2.256	8	2	7	113.34	Accepted	Accepted	Rejected	Accepted
30	419.06	1.09	-4.137	2.506	2.212	8	2	7	113.34	Accepted	Accepted	Rejected	Accepted
31	433.08	1.078	-4.584	2.771	2.571	8	2	7	113.34	Accepted	Accepted	Rejected	Accepted
32	388.03	1.11	-4.007	2.433	2.243	8	1	4	117.79	Accepted	Accepted	Accepted	Accepted
33	359.04	1.081	-3.33	2.047	2.062	6	2	3	94.88	Accepted	Accepted	Accepted	Accepted
34	387.03	1.088	-3.481	1.56	2.216	7	2	4	111.95	Accepted	Accepted	Accepted	Accepted
35	359.04	1.081	-3.392	2.449	2.006	6	2	3	94.88	Accepted	Accepted	Accepted	Accepted
36	389.05	1.086	-3.76	2.045	1.998	7	2	4	104.11	Accepted	Accepted	Accepted	Accepted
37	389.05	1.086	-3.784	2.398	1.955	7	2	4	104.11	Accepted	Accepted	Accepted	Accepted
38	387.03	1.106	-4.237	2.333	2.175	7	1	3	93.11	Accepted	Accepted	Accepted	Accepted
39	375.03	1.1	-3.086	2.06	1.734	7	3	3	115.11	Accepted	Accepted	Accepted	Accepted
40	432.06	1.1	-3.909	2.786	3.669	9	2	5	138.02	Accepted	Accepted	Rejected	Accepted
41	404.06	1.094	-4.711	3.609	3.847	8	2	4	120.95	Accepted	Accepted	Rejected	Accepted
42	433.05	1.12	-4.891	3.672	3.86	10	1	5	143.86	Accepted	Accepted	Rejected	Accepted
43	418.08	1.081	-5.273	3.81	4.005	8	1	5	109.95	Accepted	Accepted	Rejected	Accepted
44	406.06	1.108	-5.162	3.797	4.06	7	1	4	100.72	Accepted	Accepted	Rejected	Accepted
45	445.09	1.08	-5.124	2.798	3.423	9	2	6	129.82	Accepted	Accepted	Rejected	Accepted
46	404.06	1.094	-4.388	3.377	3.501	8	2	4	120.95	Accepted	Accepted	Rejected	Accepted
47	434.07	1.098	-4.905	3.297	3.687	9	2	5	130.18	Accepted	Accepted	Rejected	Accepted
48	434.07	1.098	-4.738	3.231	3.431	9	2	5	130.18	Accepted	Accepted	Rejected	Accepted

Key: MW: Molecular Weight, Log P: Logarithm of the n-octanol/water distribution coefficient, Log S: Logarithm of aqueous solubility value, Log D: Logarithm of the n-octanol/water distribution coefficient at pH = 7.4, nHA: Number of hydrogen bond acceptors, nHD: Number of hydrogen bond donors, TPSA: Topological polar surface area, nRot: Number of rotatable bonds, nRing: Number of rings, MaxRing: Number of atoms in bigger rings, nHet: Number of heteroatoms, fChar: Formal charge, nRig: Number of rigid bond.