8-(benzenesulfonyl)-9-morpholin-4-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
Formula:C21H20N2O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
8-(benzenesulfonyl)-9-morpholin-4-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is a drug-like molecule.
| MolName | 8-(benzenesulfonyl)-9-morpholin-4-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline |
| MolecularFormula | C21H20N2O5S |
| Smiles | O=S(c1ccccc1)(c(cnc(c1c2)cc3c2OCCO3)c1N1CCOCC1)=O |
| InChI | InChI=1S/C21H20N2O5S/c24-29(25,15-4-2-1-3-5-15)20-14-22-17-13-19-18(27-10-11-28-19)12-16(17)21(20)23-6-8-26-9-7-23/h1-5,12-14H,6-11H2 |
| InChIK | LXEQXNLUKFPEOY-UHFFFAOYSA-N |
| TotalMolweight | 412.465 |
| Molweight | 412.465 |
| MonoisotopicMass | 412.109293 |
| CLogP | 2.3286 |
| CLogS | -4.143 |
| H Acceptors | 7 |
| TotalSurfaceArea | 290.82 |
| Relative PSA | 0.25136 |
| PolarSurfaceArea | 86.34 |
| Druglikeness | -14.028 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 8-(benzenesulfonyl)-9-morpholin-4-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline | 2 - 8-(benzenesulfonyl)-9-morpholin-4-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
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