TABLE 11.
Overlap similarity values of the 10 promising compounds in relation to Roc-A.
| Compound | Overlap | ||
|---|---|---|---|
| 50ste/elt | 70est/30elt | 100ste | |
| PC-135638768 | 0.482649 | 0.514834 | 0.601549 |
| PC-18582767 | 0.566805 | 0.574828 | 0.668316 |
| PC-53093220 | 0.452489 | 0.479363 | 0.570985 |
| PC-16803784 | 0.556497 | 0.607117 | 0.698289 |
| PC-16811025 | 0.472699 | 0.512293 | 0.681568 |
| PC-16810171 | 0.418454 | 0.462070 | 0.688019 |
| PC-16810169 | 0.459229 | 0.543432 | 0.691514 |
| PC-53116405 | 0.488060 | 0.513044 | 0.616279 |
| PC-17581023 | 0.357190 | 0.500264 | 0.658258 |
| PC-9115580 | 0.511303 | 0.547238 | 0.613247 |
PC, PubChem; 50ste/elt, 50% of both contributions; 70ste/30elt, 70% steric and 30% electrostatic; 100ste, 100% of steric contribution.