Table 2.
QikProp result of ADMET properties of selected compounds.
| Ligand IDADMET criteria | 5,280,537 | 5,318,998 | 10,131,321 | 969,516 | 22,321,203 |
|---|---|---|---|---|---|
| Mol MW | 313.35 | 338.40 | 257.33 | 368.38 | 290.36 |
| Dipole | 5.035 | 2.56 | 5.547 | 3.64 | 4.83 |
| SASA | 634.02 | 653.93 | 562.96 | 708.92 | 638.81 |
| FOSA | 186.02 | 282.35 | 259.49 | 261.23 | 377.49 |
| FISA | 161.74 | 129.87 | 96.48 | 190.59 | 131.23 |
| PISA | 286.26 | 241.71 | 206.99 | 257.09 | 130.11 |
| QPlogS | −4.37 | −5.03 | −4.21 | −4.62 | −4.11 |
| CIQPlogS | −4.27 | −5.03 | −3.34 | −4.61 | −3.31 |
| QPlogHERG | −6.16 | −5.74 | −5.32 | −6.35 | −5.47 |
| QPPCaco | 289.83 | 581.21 | 1205.09 | 154.35 | 564.27 |
| QPPMDCK | 129.72 | 275.19 | 605.23 | 65.65 | 266.52 |
| Rule Of Five | 0 | 0 | 0 | 0 | 0 |