(E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-fluorophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide
Formula:C25H19N2O5FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-fluorophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-fluorophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide |
| MolecularFormula | C25H19N2O5FS |
| Smiles | Oc1cc(/C=C/C(Nc2c(cccc3S(Nc(cc4)ccc4F)(=O)=O)c3ccc2)=O)cc(O)c1 |
| InChI | InChI=1S/C25H19FN2O5S/c26-17-8-10-18(11-9-17)28-34(32,33)24-6-2-3-21-22(24)4-1-5-23(21)27-25(31)12-7-16-13-19(29)15-20(30)14-16/h1-15,28-30H,(H,27,31) |
| InChIK | HNMXCASKIJPJLG-UHFFFAOYSA-N |
| TotalMolweight | 478.499 |
| Molweight | 478.499 |
| MonoisotopicMass | 478.099871 |
| CLogP | 4.0392 |
| CLogS | -6.159 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 342.18 |
| Relative PSA | 0.26518 |
| PolarSurfaceArea | 124.11 |
| Druglikeness | -6.602 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-fluorophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide | 2 - (E)-3-(3,5-dihydroxyphenyl)-N-[5-[(4-fluorophenyl)sulfamoyl]naphthalen-1-yl]prop-2-enamide
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