3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
Formula:C20H21N7O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is not a drug-like molecule.
| MolName | 3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol |
| MolecularFormula | C20H21N7O2 |
| Smiles | Oc1cccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 |
| InChI | InChI=1S/C20H21N7O2/c28-17-8-4-5-15(13-17)14-21-26-19-23-18(22-16-6-2-1-3-7-16)24-20(25-19)27-9-11-29-12-10-27/h1-8,13-14,28H,9-12H2,(H2,22,23,24,25,26) |
| InChIK | DSGDSDJXMMOJCX-UHFFFAOYSA-N |
| TotalMolweight | 391.434 |
| Molweight | 391.434 |
| MonoisotopicMass | 391.175673 |
| CLogP | 5.1162 |
| CLogS | -4.72 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 304.93 |
| Relative PSA | 0.30823 |
| PolarSurfaceArea | 107.79 |
| Druglikeness | 3.3953 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol | 2 - 3-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
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