Table 2. Drug Likeliness Properties of the Small Molecules Predicted to Bind the GTP Binding Site of CoV2-RdRp.
ligand name | H-bond donor | H-bond acceptor | % of human oral absorption | QP log hERG | Lipinski rule of 5 | |
---|---|---|---|---|---|---|
1 | FIH | 3 | 8.4 | 91.496 | –4.195 | 0 |
2 | CCT | 3 | 9.9 | 76.146 | –4.316 | 0 |
3 | JPC | 3 | 7.6 | 91.313 | –4.431 | 0 |
4 | remdesivir | 5 | 16.6 | 35.214 | –5.655 | 2 |
5 | SNH | 3 | 10.9 | 77.260 | –4.317 | 0 |
6 | sofosbuvir | 3 | 14.9 | 52.851 | –5.422 | 2 |
7 | IPC | 2 | 6.9 | 100.000 | –2.968 | 0 |
8 | lead (optimized) | 3 | 7.6 | 94.742 | –5 | 0 |