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. 2020 Jul 14;5(29):18356–18366. doi: 10.1021/acsomega.0c02096

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