From: Virtual screening of phytochemical compounds as potential inhibitors against SARS-CoV-2 infection
Ligand | Binding energy (kcal/mol) | Molecular weight (g/mol) | Rotatable bonds | HB acceptor | HB Donar | TPSA (Â Ã…2) |
---|---|---|---|---|---|---|
Tanshinone I | -8.9 | 276.29 | 0 | 3 | 0 | 47.28 |
Ellipticine | -8.4 | 246.31 | 0 | 1 | 1 | 28.68 |
Anabsinthin | -8.4 | 496.64 | 0 | 6 | 1 | 82.06 |
Camptothecin | -8.3 | 348.35 | 1 | 5 | 1 | 81.42 |
Piperolactam A | -8.3 | 265.26 | 1 | 3 | 2 | 62.32 |