Research Article
Screening of Potential Breast Cancer Inhibitors through Molecular Docking and Molecular Dynamics Simulation
Table 3
Showing ADME properties of identified compounds using the Qikprop module.
| S.no | Compound ID | MW | Donor HB | Accept HB | %human oral absorption | QPlogPo/w | QPPCaco | QPPMDCK | Rule of five |
| 1. | Maybridge_55417 | 446.31 | 1.000 | 5.500 | 100 | 4.723 | 693.684 | 7564.41 | 0 | 2. | NCI_30552 | 410.42 | 2.000 | 4.500 | 100 | 4.852 | 584.333 | 276.782 | 0 | 3. | Enamine_62410 | 263.21 | 3.000 | 5.250 | 100 | 1.027 | 317.25 | 3089.67 | 0 |
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