Table 2 QikProp ADMET Prediction of twenty bis-pyrimidine derivatives
From: Synthesis, molecular docking and biological evaluation of bis-pyrimidine Schiff base derivatives
Comp. | Structure | Comp. | Structure | ||
|---|---|---|---|---|---|
q1 | mol MW: 756.819 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 84.419 QPlogPo/w: 8.778 QPlogBB: −3.759 QPPCaco: 61.3 QPPMDCK: 24.196 |
| q6 | mol MW: 710.837 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 100.0 QPlogPo/w: 9.148 QPlogBB: −2.863 QPPCaco: 239.969 QPPMDCK: 105.772 |
|
q2 | mol MW: 804.857 Rule of five: 3 Rule of three: 2 Percent human oral absorption: 84.278 QPlogPo/w: 8.963 QPlogBB: −3.044 QPPCaco: 277.415 QPPMDCK: 123.72 |
| q7 | mol MW: 714.695 Rule of five: 3 Rule of three: 2 Percent human oral absorption: 40.093 QPlogPo/w: 6.946 QPlogBB: −5.504 QPPCaco: 4.31 QPPMDCK: 1.372 |
|
q3 | mol MW: 714.695 Rule of five: 3 Rule of three: 2 Percent human oral absorption: 40.146 QPlogPo/w: 6.969 QPlogBB: −5.537 QPPCaco: 4.264 QPPMDCK: 1.357 |
| q8 | mol MW: 744.805 Rule of five: 3 Rule of three: 1 Percent human oral absorption: 64.212 QPlogPo/w: 7.882 QPlogBB: −4.278 QPPCaco: 47.392 QPPMDCK: 18.321 |
|
q4 | mol MW: 716.751 Rule of five: 3 Rule of three: 1 Percent human oral absorption: 59 QPlogPo/w: 7.148 QPlogBB: −4.067 QPPCaco: 45.1 QPPMDCK: 17.365 |
| q9 | mol MW: 656.699 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 66.503 QPlogPo/w: 6.76 QPlogBB: −4.135 QPPCaco: 27.975 QPPMDCK: 10.363 |
|
q5 | mol MW: 693.59 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 100.0 QPlogPo/w: 9.365 QPlogBB: −2.13 QPPCaco: 304.117 QPPMDCK: 830.136 |
| q10 | mol MW: 684.753 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 96.326 QPlogPo/w: 8.67 QPlogBB: −2.636 QPPCaco: 307.717 QPPMDCK: 138.39 |
|
q11 | mol MW: 676.776 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 100.0 QPlogPo/w: 9.671 QPlogBB: −2.961 QPPCaco: 249.332 QPPMDCK: 110.24 |
| q16 | mol MW: 814.491 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 80.128 QPlogPo/w: 8.109 QPlogBB: −3.358 QPPCaco: 58.418 QPPMDCK: 161.236 |
|
q12 | mol MW: 656.699 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 71.851 QPlogPo/w: 6.923 QPlogBB: −3.739 QPPCaco: 49.212 QPPMDCK: 19.082 |
| q17 | mol MW: 693.59 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 100.0 QPlogPo/w: 9.275 QPlogBB: −2.134 QPPCaco: 333.007 QPPMDCK: 613.496 |
|
q13 | mol MW: 684.753 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 96.551 QPlogPo/w: 8.606 QPlogBB: −2.571 QPPCaco: 332.408 QPPMDCK: 150.43 |
| q18 | mol MW: 714.695 Rule of five: 3 Rule of three: 2 Percent human oral absorption: 47.45 QPlogPo/w: 7.387 QPlogBB: −5.194 QPPCaco: 7.961 QPPMDCK: 2.664 |
|
q14 | mol MW: 782.492 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 100.0 QPlogPo/w: 9.567 QPlogBB: −2.067 QPPCaco: 332.297 QPPMDCK: 1056.317 |
| q19 | mol MW: 766.944 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 100.0 QPlogPo/w: 10.527 QPlogBB: −3.104 QPPCaco: 276.913 QPPMDCK: 123.478 |
|
q15 | mol MW: 782.492 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 100.0 QPlogPo/w: 9.52 QPlogBB: −2.116 QPPCaco: 304.036 QPPMDCK: 959.515 |
| q20 | mol MW: 684.753 Rule of five: 2 Rule of three: 1 Percent human oral absorption: 94.52 QPlogPo/w: 8.499 QPlogBB: −2.658 QPPCaco: 277.428 QPPMDCK: 123.726 |
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