"Polyphenol Explorer" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| PE000003 | 217.97 | -5.126 | 639.584 | 1.7663 | 14 | 7 | 3 | 0.209319875 | -5.5318 |
| PE000005 | 219.74 | -3.254 | 507.423 | -0.2124 | 13 | 8 | 3 | 0.350171819 | -3.5965 |
| PE000006 | 199.51 | -3.55 | 491.424 | 0.1333 | 12 | 7 | 2 | 0.353049081 | -3.5965 |
| PE000007 | 112.52 | -3.586 | 331.299 | 1.8437 | 7 | 4 | 0 | 0.417259227 | -5.8897 |
| PE000008 | 193.44 | -3.14 | 449.387 | -0.3513 | 11 | 8 | 2 | 0.383254164 | -8.6993 |
| PE000009 | 193.44 | -3.14 | 449.387 | -0.3513 | 11 | 8 | 2 | 0.383254164 | -8.6993 |
| PE000010 | 252.36 | -3.347 | 595.528 | -1.2617 | 15 | 10 | 3 | 0.299178818 | -2.9564 |
| PE000011 | 272.59 | -2.84 | 611.527 | -2.1884 | 16 | 11 | 3 | 0.286242971 | -9.8393 |
| PE000012 | 173.21 | -3.436 | 433.388 | -0.0056 | 10 | 7 | 1 | 0.384680242 | -8.6993 |
| PE000013 | 236.81 | -3.295 | 535.433 | -0.6886 | 14 | 8 | 3 | 0.321451274 | -11.87 |
| PE000014 | 103.29 | -3.568 | 301.273 | 1.9137 | 6 | 4 | 0 | 0.424467521 | -5.8897 |
| PE000015 | 182.44 | -3.454 | 463.414 | -0.0756 | 11 | 7 | 2 | 0.365633758 | -8.5017 |
| PE000016 | 241.36 | -3.661 | 609.555 | -0.986 | 15 | 9 | 3 | 0.286719442 | -2.7969 |
| PE000017 | 232.13 | -3.643 | 579.529 | -0.916 | 14 | 9 | 3 | 0.300570356 | -2.9564 |
| PE000018 | 94.06 | -3.55 | 271.247 | 1.9837 | 5 | 4 | 0 | 0.429517224 | -6.14 |
| PE000019 | 114.29 | -3.254 | 287.246 | 1.638 | 6 | 5 | 0 | 0.439616816 | -6.14 |
| PE000020 | 270.82 | -3.358 | 655.58 | -2.1349 | 17 | 10 | 3 | 0.260433923 | -8.5017 |
| PE000021 | 331.51 | -3.047 | 757.669 | -3.0988 | 20 | 13 | 3 | 0.244681044 | -8.2846 |
| PE000022 | 252.36 | -3.136 | 595.528 | -1.8427 | 15 | 10 | 3 | 0.289324603 | -9.8393 |
| PE000023 | 311.28 | -3.343 | 741.67 | -2.7531 | 19 | 12 | 3 | 0.24198226 | -8.2846 |
| PE000024 | 236.81 | -3.565 | 549.46 | -0.2342 | 14 | 8 | 3 | 0.305944332 | -6.6523 |
| PE000025 | 216.58 | -3.861 | 533.461 | 0.1115 | 13 | 7 | 3 | 0.307014098 | -6.6523 |
| PE000026 | 134.52 | -2.958 | 303.245 | 1.2923 | 7 | 6 | 1 | 0.446532558 | -6.14 |
| PE000027 | 213.67 | -2.844 | 465.386 | -0.697 | 12 | 9 | 2 | 0.379236423 | -8.6993 |
| PE000028 | 213.67 | -2.844 | 465.386 | -0.697 | 12 | 9 | 2 | 0.379236423 | -8.6993 |
