(3Z)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
Formula:C14H23N7O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(3Z)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol is not a drug-like molecule.
| MolName | (3Z)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol |
| MolecularFormula | C14H23N7O4 |
| Smiles | OCC(/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)O |
| InChI | InChI=1S/C14H23N7O4/c22-10-11(23)9-15-19-12-16-13(20-1-5-24-6-2-20)18-14(17-12)21-3-7-25-8-4-21/h9,11,22-23H,1-8,10H2,(H,16,17,18,19)/t11-/m1/s1 |
| InChIK | VLXWJLMLKMOYAG-LLVKDONJSA-N |
| TotalMolweight | 353.382 |
| Molweight | 353.382 |
| MonoisotopicMass | 353.181153 |
| CLogP | 0.3517 |
| CLogS | -1.657 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 268.4 |
| Relative PSA | 0.40678 |
| PolarSurfaceArea | 128.46 |
| Druglikeness | 3.1191 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon | racemate |
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1 - (3Z)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol | 2 - (3Z)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
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