8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
Formula:C24H24N2O6S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is a drug-like molecule.
| MolName | 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline |
| MolecularFormula | C24H24N2O6S |
| Smiles | O=S(c1ccccc1)(c(cnc(c1c2)cc3c2OCCO3)c1N(CC1)CCC11OCCO1)=O |
| InChI | InChI=1S/C24H24N2O6S/c27-33(28,17-4-2-1-3-5-17)22-16-25-19-15-21-20(29-10-11-30-21)14-18(19)23(22)26-8-6-24(7-9-26)31-12-13-32-24/h1-5,14-16H,6-13H2 |
| InChIK | SNCYGPJNKPTTAR-UHFFFAOYSA-N |
| TotalMolweight | 468.529 |
| Molweight | 468.529 |
| MonoisotopicMass | 468.135508 |
| CLogP | 2.646 |
| CLogS | -4.718 |
| H Acceptors | 8 |
| TotalSurfaceArea | 325.25 |
| Relative PSA | 0.2555 |
| PolarSurfaceArea | 95.57 |
| Druglikeness | -13.157 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.39394 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 15 |
| Symmetricatoms | 7 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline | 2 - 8-(benzenesulfonyl)-9-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
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