Table 3.

Theoretically estimated partition coefficient calculated by set of alternative methods for N-(methoxy/methyl-phenyl)-1-hydroxynaphthalene-2-carboxamides 1–26.

No.	logP a	miLogP b	ClogP c	ClogP d	ClogP e	ClogP f	ClogP g	MlogP h	AlogP i	ClogP j	ClogP k
1	3.98	4.27	3.65	3.51	4.43	3.75	4.50	3.91	3.26	4.47	4.20
2	4.27	4.28	3.58	3.25	3.93	3.59	4.40	3.61	3.24	3.99	4.17
3	4.25	4.30	3.58	3.25	4.52	3.59	4.66	3.61	3.24	4.55	4.17
4	4.23	4.33	3.58	3.25	4.52	3.59	4.45	3.61	3.24	4.55	4.17
5	3.95	4.31	3.51	3.00	3.96	3.44	4.61	3.06	3.22	4.07	4.15
6	4.02	4.31	3.51	3.00	4.55	3.44	4.70	3.06	3.22	4.63	4.15
7	3.47	3.90	3.44	2.75	3.81	3.28	4.46	2.51	3.21	3.98	4.12
8	4.44	4.67	3.99	3.97	4.29	4.26	4.96	4.15	3.74	4.46	4.57
9	4.47	4.69	3.99	3.97	4.94	4.26	4.96	4.15	3.74	5.02	4.57
10	4.47	4.72	3.99	3.97	4.94	4.26	4.96	4.15	3.74	5.02	4.57
11	4.72	5.09	4.34	4.44	4.79	4.78	5.42	4.38	4.23	5.00	4.93
12	4.69	4.13	4.34	4.44	4.14	4.78	5.42	4.38	4.23	4.44	4.93
13	4.74	5.09	4.34	4.44	5.44	4.78	5.42	4.38	4.23	5.57	4.93
14	4.54	4.53	4.68	4.91	4.64	5.29	5.88	4.61	4.71	4.99	5.30
15	4.57	4.70	3.93	3.72	4.43	4.11	4.86	3.84	3.73	4.54	4.54
16	4.50	4.68	3.93	3.72	3.78	4.11	4.86	3.84	3.73	3.98	4.54
17	4.59	4.70	3.93	3.72	4.37	4.11	5.12	3.84	3.73	4.54	4.54
18	4.10	4.21	2.66	1.27	4.21	3.53	4.79	3.39	3.13	4.53	4.00
19	4.07	4.21	2.66	1.27	4.21	3.53	4.95	3.39	3.13	4.53	4.00
20	4.07	5.06	4.31	4.04	4.99	4.36	5.86	3.95	3.99	4.88	4.87
21	4.82	5.15	4.43	4.14	5.23	4.47	6.44	4.18	4.18	4.95	5.06
22	4.82	5.15	4.43	4.14	5.82	4.47	6.26	4.18	4.18	5.52	5.06
23	4.65	4.42	3.69	3.39	4.86	3.74	5.20	3.73	3.44	4.75	4.27
24	5.14	4.93	4.19	3.77	4.58	4.20	5.26	3.84	3.90	4.63	6.08
25	5.12	5.54	4.85	4.86	5.63	5.14	6.31	4.99	4.68	5.42	5.45
26	5.07	5.54	4.85	4.86	6.28	5.14	6.31	4.99	4.68	5.98	5.45

^a clogPS, ^b Molinspirations, ^c OSIRIS property explorer, ^d HyperChem 7.0, ^e Sybyl X, ^f Marvin Sketch (ChemAxon) 15, ^g ChemSketch 2015, ^h Dragon 6.0, ⁱ Dragon 6.0, ^j Kowwin, ^k XlogP3).