4,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazin-2-amine
Formula:C16H20N8O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | 4,6-dimorpholin-4-yl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C16H20N8O5 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)o1)=O |
| InChI | InChI=1S/C16H20N8O5/c25-24(26)13-2-1-12(29-13)11-17-21-14-18-15(22-3-7-27-8-4-22)20-16(19-14)23-5-9-28-10-6-23/h1-2,11H,3-10H2,(H,18,19,20,21) |
| InChIK | LJULGVXTTIMXMD-UHFFFAOYSA-N |
| TotalMolweight | 404.386 |
| Molweight | 404.386 |
| MonoisotopicMass | 404.155667 |
| CLogP | 1.7078 |
| CLogS | -4.208 |
| H Acceptors | 13 |
| H Donors | 1 |
| TotalSurfaceArea | 302.56 |
| Relative PSA | 0.42144 |
| PolarSurfaceArea | 146.96 |
| Druglikeness | 1.5792 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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