"Polyphenol Explorer" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| PE000029 | 193.44 | -2.973 | 435.36 | -0.095 | 11 | 8 | 2 | 0.395525682 | -8.811 |
| PE000030 | 123.52 | -3.272 | 317.272 | 1.568 | 7 | 5 | 0 | 0.433400206 | -5.8897 |
| PE000031 | 202.67 | -3.158 | 479.413 | -0.4213 | 12 | 8 | 2 | 0.362931804 | -8.5017 |
| PE000032 | 173.21 | -3.269 | 419.361 | 0.1588 | 10 | 7 | 1 | 0.397667557 | -6.6713 |
| PE000033 | 202.67 | -3.158 | 479.413 | -0.4213 | 12 | 8 | 2 | 0.362931804 | -8.5017 |
| PE000034 | 182.44 | -3.454 | 463.414 | -0.0756 | 11 | 7 | 2 | 0.365633758 | -8.5017 |
| PE000035 | 182.44 | -3.287 | 449.387 | 0.1807 | 11 | 7 | 2 | 0.378918758 | -8.6494 |
| PE000036 | 191.67 | -3.472 | 493.44 | -0.1456 | 12 | 7 | 2 | 0.345118427 | -8.5017 |
| PE000037 | 171.44 | -3.601 | 463.414 | 0.4564 | 11 | 6 | 2 | 0.360370755 | -8.6494 |
| PE000038 | 179.28 | -3.679 | 461.398 | 0.6434 | 11 | 6 | 2 | 0.358905367 | -7.3145 |
| PE000039 | 219.74 | -3.254 | 507.423 | -0.2124 | 13 | 8 | 3 | 0.350171819 | -3.5965 |
| PE000040 | 208.74 | -3.568 | 521.45 | 0.0633 | 13 | 7 | 3 | 0.33345953 | -3.4219 |
| PE000041 | 188.51 | -3.864 | 505.451 | 0.409 | 12 | 6 | 3 | 0.334451708 | -3.4219 |
| PE000042 | 199.51 | -3.55 | 491.424 | 0.1333 | 12 | 7 | 2 | 0.353049081 | -3.5965 |
| PE000043 | 197.74 | -3.882 | 535.476 | 0.339 | 13 | 6 | 3 | 0.314011696 | -3.4219 |
| PE000044 | 208.74 | -3.568 | 521.45 | 0.0633 | 13 | 7 | 3 | 0.33345953 | -3.4219 |
| PE000046 | 197.74 | -3.882 | 535.476 | 0.339 | 13 | 6 | 3 | 0.314011696 | -3.4219 |
| PE000047 | 188.51 | -3.864 | 505.451 | 0.409 | 12 | 6 | 3 | 0.334451708 | -3.4219 |
| PE000048 | 152.98 | -3.565 | 403.362 | 0.5045 | 9 | 6 | 1 | 0.39628113 | -6.6713 |
| PE000049 | 272.59 | -3.051 | 611.527 | -1.6074 | 16 | 11 | 3 | 0.296921729 | -2.9564 |
| PE000050 | 252.36 | -2.969 | 581.501 | -1.5864 | 15 | 10 | 3 | 0.299666389 | -10.149 |
| PE000051 | 216.58 | -3.591 | 519.434 | -0.3429 | 13 | 7 | 3 | 0.324320197 | -11.87 |
| PE000052 | 208.74 | -5.108 | 609.558 | 1.8363 | 13 | 7 | 3 | 0.219446497 | -5.5318 |
| PE000053 | 173.21 | -3.269 | 419.361 | 0.1588 | 10 | 7 | 1 | 0.397667557 | -6.6713 |
| PE000054 | 191.67 | -3.472 | 493.44 | -0.1456 | 12 | 7 | 2 | 0.345118427 | -8.5017 |
