(2R,3S,4R,5S)-N-[(Z)-furan-2-ylmethylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
Formula:C11H16N2O7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(2R,3S,4R,5S)-N-[(Z)-furan-2-ylmethylideneamino]-2,3,4,5,6-pentahydroxyhexanamide is not a drug-like molecule.
| MolName | (2R,3S,4R,5S)-N-[(Z)-furan-2-ylmethylideneamino]-2,3,4,5,6-pentahydroxyhexanamide |
| MolecularFormula | C11H16N2O7 |
| Smiles | OC[C@@H]([C@H]([C@@H]([C@H](C(N/N=C\c1ccco1)=O)O)O)O)O |
| InChI | InChI=1S/C11H16N2O7/c14-5-7(15)8(16)9(17)10(18)11(19)13-12-4-6-2-1-3-20-6/h1-4,7-10,14-18H,5H2,(H,13,19)/t7-,8+,9-,10+/m0/s1 |
| InChIK | NDZBOZIGMYQDKG-QCLAVDOMSA-N |
| TotalMolweight | 288.255 |
| Molweight | 288.255 |
| MonoisotopicMass | 288.095753 |
| CLogP | -2.2498 |
| CLogS | -1.21 |
| H Acceptors | 9 |
| H Donors | 6 |
| TotalSurfaceArea | 212.43 |
| Relative PSA | 0.54427 |
| PolarSurfaceArea | 155.75 |
| Druglikeness | 5.91 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R,3S,4R,5S)-N-[(Z)-furan-2-ylmethylideneamino]-2,3,4,5,6-pentahydroxyhexanamide | 2 - (2R,3S,4R,5S)-N-[(Z)-furan-2-ylmethylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
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