(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Formula:C23H25N3O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C23H25N3O5Cl2S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCOCC1 |
| InChI | InChI=1S/C23H25Cl2N3O5S/c24-18-3-1-17(20(25)15-18)2-6-23(29)26-21-16-19(34(30,31)28-9-13-33-14-10-28)4-5-22(21)27-7-11-32-12-8-27/h1-6,15-16H,7-14H2,(H,26,29) |
| InChIK | FLCRLPSSQMUTNY-UHFFFAOYSA-N |
| TotalMolweight | 526.44 |
| Molweight | 526.44 |
| MonoisotopicMass | 525.089196 |
| CLogP | 3.0601 |
| CLogS | -4.279 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 371.83 |
| Relative PSA | 0.21564 |
| PolarSurfaceArea | 96.56 |
| Druglikeness | 3.3545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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