Principal descriptors predicted by QikProp.

S. no.	Code	MWa	Volumeb	Donor HBc	Accpt. HBd	PSAe
1	6a	388.43	1237.83	1	9.5	100.903
2	6b	418.45	1315.53	1	10.25	109.088
3	6c	444.54	1449.71	1	9.5	103.189
4	6d	422.87	1282.72	1	9.5	100.928
5	6e	467.32	1291.59	1	9.5	100.922
6	6f	433.43	1316.55	1	10.5	146.004
7	6g	467.32	1293.06	1	9.5	101.176
8	6h	402.46	1294.67	1	9.5	98.368
9	6i	514.33	1300.64	1	9.5	99.719
10	6j	501.77	1331.50	1	9.5	98.263
11	6k	501.77	1333.22	1	9.5	99.503
12	6l	457.32	1324.40	1	9.5	99.494
13	6m	389.42	1225.41	1	11	113.971
14	6n	390.40	1219.58	1	12	126.298
15	7a	402.46	1254.20	1	9.5	101.174
16	7b	446.51	1374.94	1	10.25	103.684
17	7c	458.56	1452.16	1	9.5	98.396
18	7d	436.90	1298.40	1	9.5	101.24
19	7e	481.35	1307.04	1	9.5	101.25
20	7f	447.45	1301.85	1	10.5	141.108
21	7g	481.35	1279.93	1	9.5	96.051
22	7h	528.35	1312.31	1	9.5	100.504
23	7i	515.80	1348.48	1	9.5	100.169
24	7j	471.35	1339.35	1	9.5	100.18
25	7k	404.43	1209.67	1	12	122.659
26	7l	403.44	1241.43	1	11	114.283
27	7m	454.89	1310.31	1	9.5	99.284

^aMolecular weight, in Da (range for 95% of drugs: 130–725 Da).

^bTotal solvent-accessible volume in cubic angstroms using a probe with a 1.4 Å radius (500–2000).

^cNo. of hydrogen bonds donated by the molecule (range for 95% of drugs: 0–6).

^dNo. of hydrogen bonds accepted by the molecule (range for 95% of drugs: 2–20).

^evan der Waals surface area of polar nitrogen and oxygen atoms (7–200).