2-[(E)-4-(carbamoylamino)-4-oxobut-2-enoyl]oxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate
Formula:C12H14N4O8
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
2-[(E)-4-(carbamoylamino)-4-oxobut-2-enoyl]oxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate is not a drug-like molecule.
| MolName | 2-[(E)-4-(carbamoylamino)-4-oxobut-2-enoyl]oxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate |
| MolecularFormula | C12H14N4O8 |
| Smiles | NC(NC(/C=C/C(OCCOC(/C=C/C(NC(N)=O)=O)=O)=O)=O)=O |
| InChI | InChI=1S/C12H14N4O8/c13-11(21)15-7(17)1-3-9(19)23-5-6-24-10(20)4-2-8(18)16-12(14)22/h1-4H,5-6H2,(H3,13,15,17,21)(H3,14,16,18,22) |
| InChIK | QCCPIJQIBJOCIE-UHFFFAOYSA-N |
| TotalMolweight | 342.263 |
| Molweight | 342.263 |
| MonoisotopicMass | 342.081166 |
| CLogP | -2.3706 |
| CLogS | -1.438 |
| H Acceptors | 12 |
| H Donors | 4 |
| TotalSurfaceArea | 260.48 |
| Relative PSA | 0.58239 |
| PolarSurfaceArea | 196.98 |
| Druglikeness | -10.472 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| Amides | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-4-(carbamoylamino)-4-oxobut-2-enoyl]oxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate | 2 - 2-[(E)-4-(carbamoylamino)-4-oxobut-2-enoyl]oxyethyl (E)-4-(carbamoylamino)-4-oxobut-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off