. 2022 Nov 24;16(1):103. doi: 10.1186/s13065-022-00901-2

Table 5.

Drug likeness characteristics of synthesized (E)-2-(3-(substitutedstyryl)-5-(substitutedphenyl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole derivatives

Comp	miLog P^a	Log S^b (mol/L)	TPSA^c (Å²)	MW^d	nON^e	nOHNH^f	nvoilatio^g	nrot^h
Z1	4.01	− 7.13	27.97	454.43	3	0	0	4
Z2	4.88	− 7.13	28.49	450.39	3	0	0	4
Z3	4.44	− 6.582	120.14	471.50	9	0	0	6
Z4	6.49	− 6.582	120.14	471.50	9	0	1	6
Z5	6.21	− 6.582	120.14	471.50	9	0	1	6
Z6	4.65	− 7.134	28.49	450.39	3	0	0	4
Z7	4.57	− 5.07	68.95	413.50	5	2	0	4
Z8	5.61	− 5.07	68.95	413.50	5	2	1	4
Z9	4.18	− 7.33	28.49	539.30	3	0	1	4
Z10	7.47	− 6.35	28.49	409.56	3	0	1	4
Z11	6.69	− 5.698	46.96	441.56	5	0	1	6
Z12	6.57	− 5.662	28.49	381.50	3	0	1	4
Z13	3.90	− 6.29	28.49	417.48	3	0	0	4
Z14	4.43	− 5.698	46.96	441.56	5	0	1	6
Z15	6.41	− 5.698	46.96	441.56	5	0	1	6
Z16	8.13	− 7.33	28.49	539.30	3	0	2	4
Z17	8.65	− 8.606	28.49	519.28	3	0	2	4
Z18	8.65	− 8.606	28.49	519.28	3	0	2	4
Z19	6.48	− 5.734	65.43	501.61	7	0	2	8
Z20	5.83	− 5.77	83.90	561.66	9	0	2	10

^amiLog P Logarithm of partition coefficient between n-octanol and water

^bLogS Solublity

^cTPSA Topological polar surface area

^dMW Molecular weight

^enON Number of hydrogen bond acceptor

^fnOHNH Number of hydrogen bond donor

^gnvoilations Number of violations

^hnrot Number of rotatable bonds