N-[(Z)-(3-iodophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
Formula:C18H22N7O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-iodophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H22N7O2I |
| Smiles | Ic1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1 |
| InChI | InChI=1S/C18H22IN7O2/c19-15-3-1-2-14(12-15)13-20-24-16-21-17(25-4-8-27-9-5-25)23-18(22-16)26-6-10-28-11-7-26/h1-3,12-13H,4-11H2,(H,21,22,23,24) |
| InChIK | KRDASABWKNTXOC-UHFFFAOYSA-N |
| TotalMolweight | 495.32 |
| Molweight | 495.32 |
| MonoisotopicMass | 495.087971 |
| CLogP | 4.0376 |
| CLogS | -4.557 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 315.48 |
| Relative PSA | 0.26303 |
| PolarSurfaceArea | 88 |
| Druglikeness | 3.7205 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(3-iodophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(3-iodophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
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