Table 2.
Global physicochemical parameters calculated for compounds 1a-i.
Derivative | CLog P | R | P | V | SA | |
---|---|---|---|---|---|---|
Approx | Grid | |||||
1a | 4.13 | 74.01 | 29.04 | 728.65 | 350.18 | 450.79 |
1b | 4.27 | 74.22 | 28.94 | 732.23 | 356.62 | 452.41 |
1c | 4.65 | 78.81 | 30.96 | 768.53 | 376.46 | 474.03 |
1d | 4.65 | 78.81 | 30.96 | 781.96 | 392.35 | 486.85 |
1e | 4.65 | 78.81 | 30.96 | 772.99 | 385.48 | 473.83 |
1f | 4.92 | 81.63 | 31.66 | 792.01 | 394.56 | 485.00 |
1g | 4.60 | 79.05 | 30.87 | 782.24 | 382.59 | 485.04 |
1h | 4.60 | 79.05 | 30.87 | 781.82 | 393.27 | 478.63 |
1i | 3.88 | 80.47 | 31.51 | 806.46 | 408.80 | 495.65 |