(E)-2-cyano-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
Formula:C26H22N4O4Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-2-cyano-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide |
| MolecularFormula | C26H22N4O4Cl2S |
| Smiles | N#C/C(/C(Nc(cc(cc1)S(Nc(cc(cc2)Cl)c2Cl)(=O)=O)c1N1CCOCC1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C26H22Cl2N4O4S/c27-20-6-8-22(28)23(15-20)31-37(34,35)21-7-9-25(32-10-12-36-13-11-32)24(16-21)30-26(33)19(17-29)14-18-4-2-1-3-5-18/h1-9,14-16,31H,10-13H2,(H,30,33) |
| InChIK | CVLMDQLTHAXYON-UHFFFAOYSA-N |
| TotalMolweight | 557.457 |
| Molweight | 557.457 |
| MonoisotopicMass | 556.07388 |
| CLogP | 4.1684 |
| CLogS | -6.678 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 401.13 |
| Relative PSA | 0.22848 |
| PolarSurfaceArea | 119.91 |
| Druglikeness | 0.16272 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide | 2 - (E)-2-cyano-N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
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