Table 6 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 | |
1 | 308.354 | 0 | 3.38 | 3 | 957.885 | 100.0 | 8.709 | − 1.987 | − 0.778 | 1.0 | 4.0 |
2 | 247.271 | 0 | 0.656 | 3 | 743.851 | 67.916 | 11.506 | − 4.204 | − 1.339 | 3.0 | 5.0 |
3 | 323.369 | 0 | 2.789 | 3 | 999.18 | 91.672 | 11.575 | − 2.168 | − 1.011 | 2.0 | 5.5 |
4 | 342.799 | 0 | 3.817 | 3 | 995.909 | 100.0 | 8.468 | − 2.092 | − .0.613 | 1.0 | 4.0 |
5 | 342.799 | 0 | 3.871 | 3 | 1001.91 | 100.0 | 8.469 | − 2.155 | − 0.631 | 1.0 | 4.0 |
6 | 312.342 | 0 | 2.331 | 3 | 947.57 | 91.759 | 9.026 | − 2.078 | − 0.808 | 1.0 | 5.0 |
7 | 322.381 | 0 | 3.687 | 3 | 1017.578 | 100.0 | 8.404 | − 2.183 | − 0.813 | 1.0 | 4.0 |
8 | 322.381 | 0 | 3.688 | 3 | 1017.852 | 100.0 | 8.405 | − 2.184 | − 0.814 | 1.0 | 4.0 |
9 | 336.408 | 0 | 3.986 | 3 | 1072.652 | 100.0 | 8.091 | − 2.333 | − 0.807 | 1.0 | 4.0 |
10 | 336.408 | 0 | 3.958 | 3 | 1063.481 | 100.0 | 8.109 | − 2.259 | − 0.758 | 1.0 | 4.0 |
11 | 326.344 | 0 | 3.583 | 3 | 971.486 | 100.0 | 8.509 | − 2.081 | − 0.674 | 1.0 | 4.0 |
12 | 387.25 | 0 | 3.949 | 3 | 1010.987 | 100.0 | 8.477 | − 2.157 | − 0.622 | 1.0 | 4.0 |
13 | 353.352 | 0 | 2.681 | 3 | 1031.006 | 77.031 | 9.831 | − 3.889 | − 1.84 | 1.0 | 5.0 |
14 | 387.797 | 0 | 3.239 | 3 | 1073.076 | 82.122 | 9.524 | − 3.85 | − 1.579 | 1.0 | 5.0 |
15 | 338.38 | 0 | 3.509 | 3 | 1036.846 | 100.0 | 8.946 | − 2.059 | − 0.866 | 1.0 | 4.75 |
16 | 338.38 | 0 | 3.475 | 3 | 1032.883 | 100.0 | 8.937 | − 2.085 | − 0.869 | 1.0 | 4.75 |
17 | 338.38 | 0 | 3.477 | 3 | 1033.285 | 100.0 | 8.943 | − 2.086 | − 0.872 | 1.0 | 4.75 |
18 | 326.344 | 0 | 3.615 | 3 | 974.01 | 100.0 | 8.488 | − 2.121 | − 0.674 | 1.0 | 4.0 |
19 | 353.352 | 0 | 2.677 | 3 | 1030.425 | 77.006 | 9.824 | − 3.892 | − 1.835 | 1.0 | 5.0 |
20 | 400.578 | 0 | 5.921 | 1 | 1434.834 | 100.0 | 6.164 | − 1.791 | − 1.671 | 1.0 | 4.5 |