Table 2. In-silico ADMET prediction by OSIRIS property explorer and Lipinski 'Rule of 5' by Molinspiration servers.
Zinc Id | Mutagenicity | Tumorigenic | Irritant | Reproductive effect | C log p | Solubility | MW | No. of H-acceptor | No. of H-donors | Rotator bonds | Drug liking | Drug score |
Zinc04280532 | + | + | - | - | 8.24 | 10.26 | 408 | 1 | 0 | 3 | -3.36 | 0.06 |
Zinc04280533 | + | - | - | - | 8.24 | 10.26 | 408 | 1 | 0 | 3 | 1.82 | 0.08 |
Zinc04280469 | + | - | - | - | 6.65 | -6.9 | 306 | 1 | 0 | 3 | -5 | 0.09 |
Zinc04280534 | + | - | - | - | 6.19 | -7.4 | 322 | 1 | 0 | 3 | -3.24 | 0.1 |
Zinc04277060 | + | - | - | - | 5.93 | -7.37 | 326 | 1 | 0 | 3 | -0.32 | 0.14 |
Zinc04280538 | + | - | - | - | 6.48 | -7.79 | 342 | 1 | 0 | 3 | -0.25 | 0.13 |
Zinc16405915 | + | - | - | - | 5 | -5.79 | 272 | 2 | 0 | 3 | -0.09 | 0.21 |
Zinc04582923 | - | - | - | - | 5.49 | -6.38 | 326 | 2 | 1 | 3 | -4.92 | 0.2 |
Zinc05943723 | + | - | - | - | 3.2 | -5.07 | 392 | 4 | 0 | 6 | -0.67 | 0.25 |
Zinc05280554 | + | + | + | + | 4.46 | -4.78 | 391 | 6 | 3 | 9 | 1.7 | 0.12 |
Zinc06339475 | + | - | - | - | 5.39 | -6.28 | 336 | 1 | 0 | 3 | -5.43 | 0.11 |
Zinc04280535 | + | - | - | - | 6.19 | -7.4 | 322 | 1 | 0 | 3 | -1.8 | 0.11 |