Table 4 In-silico ADME parameters of synthesized compounds
Comp | ADME parameters | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
Mol MW | Rule of Five | QPlogPo/w | Human Oral Absorption | Volume | % Human Oral Absorption | QPlogPw | QPlogKp | QPlogBB | Donor HB | Accept HB | |
H1 | 382.451 | 0 | 2.938 | 3 | 1083.522 | 88.762 | 11.638 | − 3.26 | − 0.864 | 1.0 | 6.5 |
H2 | 321.318 | 0 | 1.017 | 3 | 895.076 | 67.663 | 13.451 | − 4.786 | − 1.339 | 3.0 | 6.5 |
H3 | 397.466 | 0 | 2.648 | 3 | 1071.33 | 88.868 | 12.756 | − 2.99 | − 0.716 | 2.0 | 7.0 |
H4 | 416.896 | 0 | 3.378 | 3 | 1121.417 | 91.86 | 11.479 | − 3.3 | − 0.0.685 | 1.0 | 6.5 |
H5 | 474.675 | 1 | 5.179 | 1 | 1560.744 | 86.143 | 11.023 | − 2.583 | − 1.72 | 1.0 | 6.5 |
H6 | 386.413 | 0 | 2.075 | 3 | 1031.416 | 83.314 | 11.847 | − 3.425 | − 0.85 | 1.0 | 7.0 |
H7 | 396.478 | 0 | 3.264 | 3 | 1137.026 | 92.005 | 11.244 | − 3.312 | − 0.77 | 1.0 | 6.5 |
H8 | 396.478 | 0 | 3.238 | 3 | 1143.692 | 90.455 | 11.336 | − 3.466 | − 0.917 | 1.0 | 6.5 |
H9 | 410.505 | 0 | 3.563 | 3 | 1194.624 | 93.175 | 11.135 | − 3.488 | − 0.862 | 1.0 | 6.5 |
H10 | 410.505 | 0 | 3.406 | 3 | 1148.371 | 94.491 | 11.07 | − 3.17 | − 0.599 | 1.0 | 6.5 |
H11 | 400.442 | 0 | 3.093 | 3 | 1092.485 | 89.859 | 11.429 | − 3.349 | − 0.752 | 1.0 | 6.5 |
H12 | 461.347 | 0 | 3.495 | 3 | 1136.077 | 91.969 | 11.403 | − 3.439 | − 0.723 | 1.0 | 6.5 |
H13 | 427.449 | 0 | 2.262 | 3 | 1154.785 | 69.373 | 12.711 | − 5.044 | − 1.858 | 1.0 | 7.5 |
H14 | 461.894 | 0 | 2.863 | 3 | 1181.117 | 77.794 | 12.25 | − 4.654 | − 1.299 | 1.0 | 7.5 |
H15 | 412.477 | 0 | 3.051 | 3 | 1160.063 | 89.311 | 11.907 | − 3.34 | − 0.915 | 1.0 | 7.25 |
H16 | 412.477 | 0 | 3.027 | 3 | 1123.234 | 93.623 | 11.593 | − 2.874 | − 0.549 | 1.0 | 7.25 |
H17 | 412.477 | 0 | 3.033 | 3 | 1159.589 | 89.485 | 11.807 | − 3.362 | − 0.926 | 1.0 | 7.25 |
H18 | 400.442 | 0 | 3.174 | 3 | 1101.044 | 90.007 | 11.432 | − 3.408 | − 0.777 | 1.0 | 6.5 |
H19 | 427.449 | 0 | 2.238 | 3 | 1158.399 | 68.166 | 12.751 | − 5.165 | − 1.94 | 1.0 | 7.5 |