Table 5.
Binding affinity scores of two SARS-CoV-2 viral protein with generated compound
| ID | Compound-ISO-SMILES | Target-Name | Affinity Score |
|---|---|---|---|
| 8678 | CNC1CC2CCOC(C)(C2)C1O | YP_009725307.1 | 7.9265 |
| 1657 | CCC12CONC(CC1O)C2NC | YP_009725307.1 | 7.9091 |
| 8197 | CNC1CC(O)C2CCCC12O | YP_009725307.1 | 7.7064 |
| 3065 | CNC1C2C(C)=C3C(N)C(=O)N3C12 | YP_009725307.1 | 7.7062 |
| 306 | CNC1C2NC1(C)C(C)(O)C2=NO | YP_009725307.1 | 7.7059 |
| 11151 | CNC1C2NC3C(=O)C1C2(C)C30 | 6WQF-1 | 7.7042 |
| 3778 | CNC12CC3C1CNC3C1(C)OC21 | 6WQF-1 | 7.7002 |
| 4621 | CC1NNC(C2(C)CC2)CC=C1S | YP_009725307.1 | 7.6984 |
| 1458 | CNC1CNC2(C=CC2CO)C1C | YP_009725307.1 | 7.6983 |
| 308 | CCC1C(NC)C(C)(N)C1(O)CN | YP_009725307.1 | 7.6941 |
| 1924 | CNC1C2CC13CN(CC2O)C3C | YP_009725307.1 | 7.6900 |
| 2435 | CNN1C(C)C2=C(OC2)C2=CCC21 | YP_009725307.1 | 7.6883 |
| 4636 | CCOC1CSC(CN)=C1C1NN1 | YP_009725307.1 | 7.6882 |
| 4085 | CNC1C2NCC(=O)C1C2(C)CO | 6WQF-1 | 7.6877 |
| 8280 | CCC(CC)NC | YP_009725307.1 | 7.6848 |
| 4186 | CNC1CN2C(=O)C3CCC(N3)C12 | YP_009725307.1 | 7.6847 |
| 4715 | CNC(C)C(N)C1C[NH]C(=O)[NH]1 | YP_009725307.1 | 7.6803 |
| 2647 | C=C1SC2CC2OC(C)C1NNC | YP_009725307.1 | 7.6791 |
| 6890 | CNC(C)C1(C)COC1CC(C)=O | 6WQF-1 | 7.6762 |
| 7445 | CNC1C2NOC(C)C13CCCC23 | YP_009725307.1 | 7.6734 |
| 2330 | C=C1CC(NC)C(C)(O)C2C(O)C12 | YP_009725307.1 | 7.6700 |
| 9753 | CNC12CNC(CCO)C1(C)C2N | YP_009725307.1 | 7.6680 |
| 6826 | CNC(C)C(N)C1C[NH]C(=O)[NH]1 | 6WQF-1 | 7.6610 |
| 10485 | CCC(C)NC | YP_009725307.1 | 7.6607 |
| 1561 | CNC1CCN2NCCC1(C)C2C | 6WQF-1 | 7.6536 |
| 4801 | CNC1C2C(C)=C3C(N)C(=O)N3C1 | 6WQF-1 | 7.6518 |
| 7075 | C=C1SC2CC2OC(C)C1NNC | 6WQF-1 | 7.6513 |