(6Z)-6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
Formula:C17H29N7O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(6Z)-6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol is not a drug-like molecule.
| MolName | (6Z)-6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol |
| MolecularFormula | C17H29N7O7 |
| Smiles | OCC(C(C(C(/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)O)O)O)O |
| InChI | InChI=1S/C17H29N7O7/c25-10-12(27)14(29)13(28)11(26)9-18-22-15-19-16(23-1-5-30-6-2-23)21-17(20-15)24-3-7-31-8-4-24/h9,11-14,25-29H,1-8,10H2,(H,19,20,21,22) |
| InChIK | ZLRJIWCKOYOIAS-UHFFFAOYSA-N |
| TotalMolweight | 443.459 |
| Molweight | 443.459 |
| MonoisotopicMass | 443.212848 |
| CLogP | -1.3505 |
| CLogS | -1.27 |
| H Acceptors | 14 |
| H Donors | 6 |
| TotalSurfaceArea | 324.95 |
| Relative PSA | 0.45693 |
| PolarSurfaceArea | 189.15 |
| Druglikeness | 3.6046 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| StereoCenters | 4 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 20 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon | unknown chirality |
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1 - (6Z)-6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol | 2 - (6Z)-6-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
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