N'-anilino-3,4-dihydroxy-5-(hydroxymethyl)-N-phenyliminooxolane-2-carboximidamide
Formula:C18H20N4O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:low
N'-anilino-3,4-dihydroxy-5-(hydroxymethyl)-N-phenyliminooxolane-2-carboximidamide is a drug-like molecule.
| MolName | N'-anilino-3,4-dihydroxy-5-(hydroxymethyl)-N-phenyliminooxolane-2-carboximidamide |
| MolecularFormula | C18H20N4O4 |
| Smiles | OCC(C(C1O)O)OC1/C(/N=N/c1ccccc1)=N/Nc1ccccc1 |
| InChI | InChI=1S/C18H20N4O4/c23-11-14-15(24)16(25)17(26-14)18(21-19-12-7-3-1-4-8-12)22-20-13-9-5-2-6-10-13/h1-10,14-17,19,23-25H,11H2 |
| InChIK | OCAOTJBGQGWLFR-UHFFFAOYSA-N |
| TotalMolweight | 356.381 |
| Molweight | 356.381 |
| MonoisotopicMass | 356.148456 |
| CLogP | 2.6986 |
| CLogS | -3.246 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 269.78 |
| Relative PSA | 0.35321 |
| PolarSurfaceArea | 119.03 |
| Druglikeness | -5.3349 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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