Table 4. QikProp results of 10 best selected compounds based on docking score obtained with schrodinger docking suite.
| No | Compound | a QPlog HERG | b QPP Caco | c Qplog BB | d QPP MDCK | e logS | f Qplog Khsa | g Percent Human Oral Absorption |
| 1 | NSC636674 | -6.33 | 567.57 | 0.17 | 296.72 | -3.26 | 0.41 | 95.09 |
| 2 | NSC132828 | -6.63 | 398.85 | 0.06 | 202.65 | -2.82 | 0.10 | 86.91 |
| 3 | NSC132835 | -7.08 | 168.29 | 0.75 | 88.22 | -1.95 | 0.33 | 80.93 |
| 4 | AF-407/13462035 | -5.93 | 1619.27 | -0.22 | 2055.83 | -4.71 | 0.30 | 100.00 |
| 5 | NSC168977 | -5.72 | 593.21 | 0.39 | 1210.49 | -3.49 | 0.43 | 100.00 |
| 6 | S341886 | -5.56 | 2568.73 | -0.17 | 1371.54 | -3.65 | 0.01 | 100.00 |
| 7 | NSC13240 | -5.80 | 256.73 | -0.12 | 125.87 | -2.04 | 0.02 | 81.91 |
| 8 | 7921112 | -6.02 | 292.34 | -0.12 | 144.85 | -2.54 | 0.05 | 83.17 |
| 9 | NSC96938 | -4.66 | 387.00 | 0.19 | 354.27 | -1.24 | -0.19 | 83.18 |
| 10 | AE-641/00584006 | -6.58 | 706.42 | 0.25 | 502.42 | -3.37 | 0.52 | 100.00 |