Research Article
Molecular Analysis and Modeling of Hepatitis E Virus Helicase and Identification of Novel Inhibitors by Virtual Screening
Table 2
Drug likeness parameters of the selected compounds showing HEV-helicase inhibitory activities.
| No. | Compounds (PubChem ID) | MW | HBD | HBA | LogP | RB | Ro5 violation |
| 1 | BTB07890 | 446.288 | 2 | 7 | 3.9 | 7 | 0 | 2 | JFD02650 | 408.428 | 0 | 6 | 3.68 | 5 | 0 | 3 | CD07424 | 360.375 | 2 | 8 | 2.14 | 6 | 0 | 4 | SPB07861 | 417.487 | 1 | 6 | 3.72 | 8 | 0 | 5 | HTS03126 | 481.982 | 1 | 6 | 3.74 | 6 | 0 | 6 | RDR03130 | 396.458 | 1 | 7 | 1.69 | 8 | 0 | 7 | HTS11136 | 387.24 | 2 | 6 | 3.31 | 7 | 0 | 8 | JFD02375 | 458.417 | 4 | 10 | 0.46 | 4 | 0 | 9 | KM07751 | 422.87 | 0 | 7 | 3.84 | 5 | 0 | 10 | RJC03167 | 470.636 | 0 | 7 | 6.1 | 6 | 1 |
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