(3E)-3-amino-3-hydroxyimino-N-(4-morpholin-4-ylphenyl)propanamide
Formula:C13H18N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3E)-3-amino-3-hydroxyimino-N-(4-morpholin-4-ylphenyl)propanamide is a drug-like molecule.
| MolName | (3E)-3-amino-3-hydroxyimino-N-(4-morpholin-4-ylphenyl)propanamide |
| MolecularFormula | C13H18N4O3 |
| Smiles | N/C(/CC(Nc(cc1)ccc1N1CCOCC1)=O)=N/O |
| InChI | InChI=1S/C13H18N4O3/c14-12(16-19)9-13(18)15-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,19H,5-9H2,(H2,14,16)(H,15,18) |
| InChIK | JLNVHORFJHDILT-UHFFFAOYSA-N |
| TotalMolweight | 278.311 |
| Molweight | 278.311 |
| MonoisotopicMass | 278.137891 |
| CLogP | 0.434 |
| CLogS | -2.257 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 215.91 |
| Relative PSA | 0.36094 |
| PolarSurfaceArea | 100.18 |
| Druglikeness | 2.2069 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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