Table 4 Calculated values of the descriptors
Comp. / MM / LogP / WI / RI / BI / MP / DE / HI / LogD / PI / R / PSA1 / 290.36 / 2.72 / 892 / 10.82 / 1.67 / 33.24 / 64.67 / 82.41 / 1.02 / 72 / 87.51 / 55.59
2 / 358.36 / 3.59 / 1427 / 12.43 / 1.44 / 34.23 / 68.77 / 104.8 / 2.25 / 88 / 93.48 / 55.59
3 / 320.16 / 2.55 / 1145 / 11.75 / 1.54 / 35.73 / 72.89 / 93.10 / 0.999 / 78 / 93.96 / 64.82
4 / 346.47 / 4.26 / 1427 / 12.43 / 1.44 / 40.54 / 84.37 / 104.8 / 2.69 / 88 / 106.1 / 55.59
5 / 410.51 / 4.65 / 2589 / 15.2 / 1.13 / 47.14 / 91.42 / 130.4 / 3.24 / 100 / 123.7 / 64.82
6 / 398.48 / 4.95 / 2291 / 14.66 / 1.2 / 44.23 / 79.86 / 125.7 / 3.64 / 98 / 117.4 / 55.59
7 / 453.26 / 4.92 / 1884 / 13.29 / 1.51 / 37.96 / 72.22 / 113.9 / 3.95 / 94 / 98.2 / 64.82
8 / 416.44 / 5.55 / 2303 / 14.33 / 1.42 / 40.39 / 79.79 / 124.7 / 4.36 / 98 / 104.8 / 64.82
9 / 416.18 / 5.55 / 2303 / 14.33 / 1.42 / 40.39 / 80.73 / 124.7 / 4.36 / 98 / 104.8 / 64.82
10 / 398.46 / 2.28 / 2224 / 14.72 / 1.24 / 44.93 / 89.93 / 126.9 / 0.94 / 98 / 115.7 / 90.6
11 / 452.43 / 3.87 / 2989 / 15.87 / 1.33 / 44.08 / 93.43 / 143.9 / 2.76 / 110 / 112.3 / 90.6
12 / 415.46 / 3.52 / 2421 / 15.13 / 1.21 / 45.44 / 92.93 / 133.4 / 2.25 / 102 / 118.1 / 77.71
13 / 469.43 / 5.11 / 3225 / 16.28 / 1.31 / 44.65 / 94.55 / 150.6 / 4.06 / 114 / 114.7 / 77.71
14 / 429.45 / 3.31 / 2580 / 15.66 / 1.23 / 45.4 / 98.41 / 141.9 / 2.08 / 110 / 117.4 / 86.94
15 / 469.15 / 5.11 / 3225 / 16.28 / 1.31 / 44.65 / 96.41 / 150.6 / 4.06 / 114 / 114.7 / 77.71
16 / 465.43 / 4.7 / 3066 / 16.37 / 1.16 / 44.89 / 96.01 / 154.7 / 3.62 / 120 / 115.5 / 86.94
17 / 473.54 / 4.08 / 3369 / 17.08 / 1.32 / 51.66 / 101.3 / 158.1 / 2.94 / 112 / 134.1 / 86.94
18 / 455.41 / 5.05 / 2999 / 15.78 / 1.33 / 42.83 / 95.03 / 144.0 / 4.28 / 112 / 109.9 / 77.71
19 / 483.46 / 5.63 / 3455 / 16.78 / 1.29 / 46.48 / 100.6 / 157.4 / 4.47 / 116 / 119.4 / 77.71
20 / 497.49 / 6.07 / 3719 / 17.28 / 1.26 / 48.31 / 124.7 / 163.7 / 4.86 / 118 / 124.0 / 77.71