Table 1.

Structural properties of the similar candidates with SAM.

Candidate	ALog p 1	M. Wt 2	HBA 3	HBD 4	Rotatable Bonds	Rings	Aromatic Rings	MFPSA 5	Minimum Distance
7	0.857	546.629	9	3	11	5	1	0.223	1.272
19	2.643	301.294	6	2	2	3	2	0.261	1.441
33	0.674	315.321	5	3	0	4	1	0.333	1.472
44	−4.182	194.206	5	6	2	1	0	0.597	1.379
48	−3.556	190.217	4	5	1	2	0	0.466	1.454
71	1.479	304.252	7	5	1	3	2	0.467	1.491
77	1.388	318.235	8	6	1	3	2	0.526	1.477
82	1.388	318.235	8	6	1	3	2	0.526	1.477
83	1.388	318.235	8	6	1	3	2	0.526	1.477
85	0.436	446.404	10	5	5	4	2	0.373	1.093
102	−0.729	330.287	9	5	5	2	1	0.457	0.491
105	−1.814	353.301	9	5	5	2	1	0.489	0.375
120	−0.396	422.34	11	8	2	4	2	0.533	0.652
141	0.207	321.216	9	5	4	2	2	0.563	0.632
143	0.007	477.352	13	7	7	3	2	0.536	0.565
182	−1.881	267.241	8	4	2	3	2	0.539	0.489
183	−2.396	243.217	7	4	2	2	0	0.545	0.747
186	1.045	371.273	4	3	0	4	2	0.339	1.039
187	1.045	371.273	4	3	0	4	2	0.339	1.039
194	0.253	193.203	5	4	2	1	1	0.501	0.964
203	−0.499	503.583	10	4	8	3	0	0.268	1.113
204	−0.091	517.61	10	3	9	3	0	0.237	1.229
218	0.536	293.283	7	3	1	4	3	0.444	0.903
220	−2.005	258.228	6	4	2	2	0	0.479	0.877
221	−2.451	244.201	6	4	2	2	0	0.525	0.876
282	−1.049	544.527	11	6	5	5	2	0.403	0.534
284	−1.308	251.242	7	3	2	3	2	0.482	0.406
285	−1.595	292.251	9	4	2	3	2	0.57	0.432
301	−1.614	251.242	7	3	3	3	2	0.48	0.364
302	−1.526	302.714	7	4	2	3	1	0.401	0.510
SAM	−4.254	399.445	9	4	7	3	2	0.483

¹ Partition coefficient, ² Molecular weight, ³ Hydrogen bond acceptors, ⁴ Hydrogen bond donors, ⁵ Molecular fractional polar surface area.