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Dock Scores obtained from Autodock Pyrex of Screened Ligands
| Ligand | Binding energy (kcal/mol) |
Molecular weight (g/mol) |
Rotatable bonds | HB acceptor | HB Donar | TPSA ( Å2) |
|---|---|---|---|---|---|---|
| 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 |
