[(E)-[amino(pyridin-2-yl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate
Formula:C20H20N4O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate |
| MolecularFormula | C20H20N4O4 |
| Smiles | N/C(/c1ncccc1)=N/OC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O |
| InChI | InChI=1S/C20H20N4O4/c21-18(16-10-5-6-12-22-16)23-28-17(25)11-2-1-7-13-24-19(26)14-8-3-4-9-15(14)20(24)27/h3-6,8-10,12H,1-2,7,11,13H2,(H2,21,23) |
| InChIK | CHYHCYWLCHHWLW-UHFFFAOYSA-N |
| TotalMolweight | 380.403 |
| Molweight | 380.403 |
| MonoisotopicMass | 380.148456 |
| CLogP | 2.9217 |
| CLogS | -3.616 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 292.12 |
| Relative PSA | 0.30953 |
| PolarSurfaceArea | 114.95 |
| Druglikeness | -11.487 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 6-(1,3-dioxoisoindol-2-yl)hexanoate
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