2-hydroxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate
Formula:C7H10N2O5
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
2-hydroxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | 2-hydroxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate |
| MolecularFormula | C7H10N2O5 |
| Smiles | NC(NC(/C=C/C(OCCO)=O)=O)=O |
| InChI | InChI=1S/C7H10N2O5/c8-7(13)9-5(11)1-2-6(12)14-4-3-10/h1-2,10H,3-4H2,(H3,8,9,11,13) |
| InChIK | FTLHXQTVAACCOS-UHFFFAOYSA-N |
| TotalMolweight | 202.165 |
| Molweight | 202.165 |
| MonoisotopicMass | 202.058973 |
| CLogP | -1.6234 |
| CLogS | -0.704 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 157.1 |
| Relative PSA | 0.5662 |
| PolarSurfaceArea | 118.72 |
| Druglikeness | -3.8371 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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