4,6-dimorpholin-4-yl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
Formula:C24H27N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-dimorpholin-4-yl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | 4,6-dimorpholin-4-yl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C24H27N7O3 |
| Smiles | C(COCC1)N1c1nc(N/N=C\c2cc(Oc3ccccc3)ccc2)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C24H27N7O3/c1-2-6-20(7-3-1)34-21-8-4-5-19(17-21)18-25-29-22-26-23(30-9-13-32-14-10-30)28-24(27-22)31-11-15-33-16-12-31/h1-8,17-18H,9-16H2,(H,26,27,28,29) |
| InChIK | YXUIMODJMKGEBM-UHFFFAOYSA-N |
| TotalMolweight | 461.524 |
| Molweight | 461.524 |
| MonoisotopicMass | 461.217538 |
| CLogP | 4.9961 |
| CLogS | -5.838 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 358.96 |
| Relative PSA | 0.25903 |
| PolarSurfaceArea | 97.23 |
| Druglikeness | 3.2985 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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