"SuperNatural II" Chemical Library
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| SN00000001 | 46.07 | -2.68 | 250.361 | 1.0248 | 3 | 2 | 0 | 0.470949065 | -3.9199 |
| SN00000002 | 63.36 | -2.776 | 288.322 | -0.9019 | 5 | 3 | 0 | 0.665557529 | -0.18257 |
| SN00000003 | 47.53 | -2.211 | 297.421 | 0.6237 | 3 | 2 | 0 | 0.496503539 | 1.3085 |
| SN00000004 | 60.36 | -1.046 | 151.141 | -2.0033 | 3 | 1 | 0 | 0.447200883 | 0.0675 |
| SN00000005 | 36.92 | -3.075 | 222.239 | 2.6594 | 4 | 0 | 0 | 0.266400807 | -4.6675 |
| SN00000006 | 110.96 | -6.03 | 340.266 | 0.5773 | 8 | 0 | 0 | 0.105945475 | -6.3386 |
| SN00000007 | 66.43 | -1.929 | 179.151 | -0.9446 | 4 | 0 | 0 | 0.576484591 | -1.4302 |
| SN00000009 | 67.77 | -2.537 | 213.663 | -0.2971 | 3 | 1 | 0 | 0.523371959 | -2.0956 |
| SN00000010 | 52.32 | -0.386 | 161.224 | -3.3724 | 4 | 1 | 0 | 0.266351209 | -0.38008 |
| SN00000011 | 17.33 | -2.724 | 320.253 | 2.1066 | 2 | 1 | 0 | 0.454988507 | -3.3551 |
| SN00000012 | 58.56 | -2.417 | 223.271 | 1.5866 | 4 | 2 | 0 | 0.139293803 | -3.2636 |
| SN00000013 | 26.56 | -2.276 | 291.801 | 1.1986 | 3 | 1 | 0 | 0.553303907 | -1.3866 |
| SN00000014 | 62.83 | -2.05 | 273.739 | 1.1128 | 4 | 0 | 0 | 0.783285668 | 0.73005 |
| SN00000015 | 46.53 | -3.245 | 276.375 | 2.9264 | 3 | 1 | 0 | 0.259884211 | -3.7379 |
| SN00000016 | 50.97 | -2.119 | 292.397 | 0.5104 | 4 | 2 | 0 | 0.516924995 | -2.0863 |
| SN00000017 | 26.56 | -1.64 | 271.383 | 0.5158 | 3 | 1 | 0 | 0.597372985 | -1.0457 |
| SN00000018 | 49.77 | -1.581 | 223.271 | 1.7618 | 4 | 1 | 0 | 0.936780038 | 3.6552 |
| SN00000019 | 88.33 | -1.196 | 198.241 | -3.024 | 4 | 4 | 0 | 0.593577045 | -1.2875 |
| SN00000020 | 67.77 | -2.277 | 199.636 | -0.8197 | 3 | 1 | 0 | 0.574792263 | -1.3625 |
| SN00000021 | 49.36 | -4.259 | 241.265 | 0.8899 | 3 | 0 | 0 | 0.617838696 | 0.072212 |
| SN00000022 | 62.13 | -1.748 | 260.243 | 0.2219 | 4 | 0 | 0 | 0.29877532 | -0.80613 |
| SN00000023 | 40.13 | -4.362 | 243.256 | 1.2543 | 2 | 0 | 0 | 0.48698392 | -1.2775 |
| SN00000024 | 46.53 | -2.296 | 318.435 | -0.8524 | 4 | 1 | 0 | 0.576040127 | -1.0727 |
| SN00000025 | 58.92 | -1.316 | 198.217 | 0.4318 | 4 | 2 | 0 | 0.609309763 | -1.0644 |
| SN00000026 | 50.97 | -2.203 | 276.355 | -0.7518 | 4 | 2 | 0 | 0.298057783 | -2.7805 |
