(E)-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoate
Formula:C14H15N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(4-morpholin-4-ylanilino)-4-oxobut-2-enoate |
| MolecularFormula | C14H15N2O4 |
| Smiles | [O-]C(/C=C/C(Nc(cc1)ccc1N1CCOCC1)=O)=O |
| InChI | InChI=1S/C14H16N2O4/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)16-7-9-20-10-8-16/h1-6H,7-10H2,(H,15,17)(H,18,19)/p-1 |
| InChIK | XYVYQZXVYXSMNY-UHFFFAOYSA-M |
| TotalMolweight | 275.283 |
| Molweight | 275.283 |
| MonoisotopicMass | 275.103183 |
| CLogP | -1.6634 |
| CLogS | -1.848 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 216.09 |
| Relative PSA | 0.30251 |
| PolarSurfaceArea | 81.7 |
| Druglikeness | 1.2003 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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