2-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzonitrile
Formula:C20H17N6O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzonitrile is a drug-like molecule.
| MolName | 2-[5-[(Z)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzonitrile |
| MolecularFormula | C20H17N6O2F |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\Nc(nc2)nc(N3CCOCC3)c2F)o1 |
| InChI | InChI=1S/C20H17FN6O2/c21-17-13-23-20(25-19(17)27-7-9-28-10-8-27)26-24-12-15-5-6-18(29-15)16-4-2-1-3-14(16)11-22/h1-6,12-13H,7-10H2,(H,23,25,26) |
| InChIK | SDJUEUBWAOUBRW-UHFFFAOYSA-N |
| TotalMolweight | 392.393 |
| Molweight | 392.393 |
| MonoisotopicMass | 392.139702 |
| CLogP | 4.5429 |
| CLogS | -5.591 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 306.11 |
| Relative PSA | 0.28137 |
| PolarSurfaceArea | 99.57 |
| Druglikeness | -0.44534 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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