Human Database
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| HMDB00072 | 111.9 | -0.115 | 174.108 | -1.1343 | 6 | 3 | 0 | 0.830029617 | 0.77523 |
| HMDB00073 | 66.48 | -1.096 | 153.18 | 0.4032 | 3 | 3 | 0 | 0.194045161 | -2.1675 |
| HMDB00076 | 58.2 | -1.028 | 114.104 | -0.7737 | 4 | 2 | 0 | 0.956838523 | 2.8231 |
| HMDB00077 | 37.3 | -4.061 | 288.429 | 3.4962 | 2 | 1 | 0 | 0.645945043 | 0.92625 |
| HMDB00078 | 92.42 | -0.83 | 178.211 | -3.9746 | 5 | 3 | 0 | 0.491198439 | -8.1237 |
| HMDB00079 | 58.2 | -1.188 | 128.131 | -0.5044 | 4 | 2 | 0 | 0.976983908 | 4.667 |
| HMDB00082 | 268.2 | 3.001 | 483.155 | -11.253 | 17 | 7 | 2 | 0.387525966 | -34.208 |
| HMDB00085 | 134.99 | -2.117 | 267.244 | -1.8388 | 9 | 4 | 0 | 0.73695395 | 0.24052 |
| HMDB00086 | 99.05 | 2.026 | 257.222 | -7.7333 | 7 | 2 | 0 | 0.486908515 | -34.823 |
| HMDB00087 | 12.03 | -0.169 | 45.0846 | -0.4021 | 1 | 1 | 0 | 0.219699043 | -1.204 |
| HMDB00089 | 128.61 | -0.731 | 243.218 | -3.0346 | 8 | 4 | 0 | 0.490069055 | -4.6735 |
| HMDB00092 | 40.54 | 0.418 | 103.12 | -2.1194 | 3 | 1 | 0 | 0.747062208 | 0.017636 |
| HMDB00094 | 132.13 | 0.071 | 192.123 | -2.1297 | 7 | 4 | 0 | 0.582485462 | 3.5617 |
| HMDB00095 | 175.14 | 0.849 | 323.197 | -6.3374 | 11 | 5 | 1 | 0.472564105 | -24.391 |
| HMDB00097 | 20.23 | 0.665 | 104.172 | -3.5938 | 2 | 1 | 0 | 0.615555554 | -1.16 |
| HMDB00098 | 90.15 | 0.122 | 150.129 | -2.0188 | 5 | 4 | 0 | 0.29863595 | -5.0602 |
| HMDB00099 | 126.64 | -0.705 | 222.264 | -5.8588 | 6 | 4 | 0 | 0.488075687 | -12.935 |
| HMDB00101 | 119.31 | -2.724 | 251.245 | -0.8875 | 8 | 3 | 0 | 0.785121326 | 0.79946 |
| HMDB00107 | 121.38 | 0.546 | 182.171 | -3.1458 | 6 | 6 | 1 | 0.715820673 | -0.1995 |
| HMDB00108 | 20.23 | -0.477 | 46.0686 | 0.0505 | 1 | 1 | 0 | 0.069848204 | -2.315 |
| HMDB00112 | 63.32 | -0.568 | 103.12 | -2.4416 | 3 | 2 | 0 | 0.526223855 | -2.6914 |
| HMDB00114 | 121.46 | 1.968 | 215.141 | -5.1996 | 7 | 5 | 0 | 0.238406155 | -4.6088 |
| HMDB00115 | 57.53 | 0.048 | 76.0508 | -1.2258 | 3 | 2 | 0 | 0.128912769 | -1.3718 |
| HMDB00118 | 66.76 | -1.316 | 182.174 | 0.7271 | 4 | 2 | 0 | 0.576070619 | -1.4675 |
| HMDB00119 | 54.37 | -0.167 | 74.0349 | -1.4381 | 3 | 1 | 0 | 0.303066911 | -3.9942 |
