"SuperNatural II" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| SN00000027 | 46.53 | -1.938 | 290.382 | -1.7428 | 4 | 1 | 0 | 0.507428943 | 1.3761 |
| SN00000028 | 46.53 | -3.532 | 262.348 | 3.6527 | 3 | 1 | 0 | 0.251647971 | -2.7361 |
| SN00000029 | 45.96 | -1.871 | 207.228 | -2.9214 | 4 | 1 | 0 | 0.524725297 | -2.3401 |
| SN00000030 | 60.44 | -3.687 | 280.302 | 0.1531 | 4 | 0 | 0 | 0.850387215 | 3.7005 |
| SN00000031 | 77.3 | -1.79 | 240.322 | 0.0392 | 4 | 4 | 0 | 0.712447883 | -0.040925 |
| SN00000032 | 100.16 | -2.932 | 329.419 | 0.5548 | 5 | 4 | 0 | 0.328583796 | -1.1639 |
| SN00000033 | 46.53 | -2.385 | 340.441 | -0.7467 | 4 | 1 | 0 | 0.633482707 | -0.38907 |
| SN00000034 | 49.69 | -1.642 | 182.218 | 0.8457 | 3 | 2 | 0 | 0.354191111 | -1.246 |
| SN00000035 | 33.54 | -2.803 | 247.361 | 0.2863 | 3 | 2 | 0 | 0.360100065 | -0.85181 |
| SN00000036 | 77.3 | -1.142 | 212.268 | -0.7745 | 4 | 4 | 0 | 0.341757135 | -1.5797 |
| SN00000037 | 47.56 | -2.928 | 221.255 | 1.6252 | 4 | 1 | 0 | 0.456372409 | -9.0995 |
| SN00000038 | 7.68 | -2.94 | 265.379 | 1.2036 | 2 | 1 | 0 | 0.818483218 | 1.4197 |
| SN00000039 | 95.43 | -0.943 | 255.293 | -4.2026 | 6 | 3 | 0 | 0.893913107 | 1.7334 |
| SN00000040 | 114.4 | -1.114 | 288.303 | -2.1144 | 8 | 0 | 0 | 0.325337726 | -2.6435 |
| SN00000041 | 68.1 | -0.844 | 154.188 | -3.492 | 3 | 3 | 0 | 0.518776233 | -2.8651 |
| SN00000042 | 81.19 | -1.098 | 220.635 | -0.8668 | 6 | 1 | 0 | 0.153680392 | -2.2198 |
| SN00000043 | 13.67 | -2.655 | 270.395 | 1.8834 | 2 | 1 | 0 | 0.52135704 | -1.7475 |
| SN00000044 | 39.44 | -2.847 | 244.289 | 4.6055 | 3 | 0 | 0 | 0.456287362 | -1.1932 |
| SN00000045 | 38.33 | -2.276 | 179.218 | 1.6996 | 3 | 1 | 0 | 0.102925867 | -1.0225 |
| SN00000046 | 17.33 | -1.89 | 241.357 | 1.3814 | 2 | 1 | 0 | 0.554277044 | -1.5651 |
| SN00000047 | 29.74 | -4.062 | 294.441 | 2.6524 | 1 | 1 | 0 | 0.315371201 | -0.70291 |
| SN00000048 | 40.62 | -2.409 | 312.412 | 2.5396 | 4 | 0 | 0 | 0.392619039 | -0.071538 |
| SN00000049 | 36.84 | -3.34 | 230.33 | 1.1113 | 2 | 2 | 0 | 0.334825698 | -1.5797 |
| SN00000050 | 36.92 | -6.619 | 332.334 | 0.6636 | 5 | 0 | 0 | 0.293612988 | -2.4707 |
| SN00000051 | 43.37 | -2.704 | 246.305 | 1.8467 | 3 | 0 | 0 | 0.849372628 | 1.8123 |
