Table 4.
List of the mean values of the most relevant 3D descriptors (RI > 0.5) and of 2D descriptors chosen as reference parameters within the different 2D subtypes. All of them have been calculated based on the several chemotypes explored herein.
| Potentiator Series | b_1rotRmean | a_hydmean | Vsurf_WP3mean | Vsurf_ID7mean | SlogP_VSA9mean | pEC50 |
|---|---|---|---|---|---|---|
| Thienopyrans | 0.11934 | 15.8667 | 183.5333 | 1.4341 | 178.6650 | 6.10–9.26 |
| Cyanoquinolines | 0.1830 | 19.0741 | 118.6481 | 1.1386 | 68.4367 | 4.25–6.00 |
| Indole-based derivatives | 0.0901 | 21.8461 | 117.8750 | 1.09374 | 26.9052 | 4.52–5.69 |
| Pyrazoloquinolines | 0.1313 | 17.1000 | 160.6875 | 0.9737 | 40.7683 | 4.52–6.52 |
| Amino aryl Thiazoles | 0.17156 | 17.5454 | 108.8875 | 0.98697 | 96.0631 | 4.14–5.71 |