(E)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoate
Formula:C14H15N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoate |
| MolecularFormula | C14H15N2O6S |
| Smiles | [O-]C(/C=C/C(Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)=O |
| InChI | InChI=1S/C14H16N2O6S/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)23(20,21)16-7-9-22-10-8-16/h1-6H,7-10H2,(H,15,17)(H,18,19)/p-1 |
| InChIK | FCZQPDJNVDOUNL-UHFFFAOYSA-M |
| TotalMolweight | 339.347 |
| Molweight | 339.347 |
| MonoisotopicMass | 339.065083 |
| CLogP | -2.2896 |
| CLogS | -0.951 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 244.67 |
| Relative PSA | 0.38399 |
| PolarSurfaceArea | 124.22 |
| Druglikeness | 3.0944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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