3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]propanamide
Formula:C18H20N4O7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]propanamide |
| MolecularFormula | C18H20N4O7S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCc(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)o1)=O |
| InChI | InChI=1S/C18H20N4O7S/c23-17(20-19-13-15-4-8-18(29-15)22(24)25)7-3-14-1-5-16(6-2-14)30(26,27)21-9-11-28-12-10-21/h1-2,4-6,8,13H,3,7,9-12H2,(H,20,23) |
| InChIK | GUAVQOKJVWGKOA-UHFFFAOYSA-N |
| TotalMolweight | 436.444 |
| Molweight | 436.444 |
| MonoisotopicMass | 436.105271 |
| CLogP | 1.3154 |
| CLogS | -3.829 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 318.29 |
| Relative PSA | 0.3854 |
| PolarSurfaceArea | 155.41 |
| Druglikeness | 2.9475 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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