8-(benzenesulfonyl)-9-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
Formula:C22H22N2O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
8-(benzenesulfonyl)-9-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is a drug-like molecule.
| MolName | 8-(benzenesulfonyl)-9-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline |
| MolecularFormula | C22H22N2O4S |
| Smiles | O=S(c1ccccc1)(c(cnc(c1c2)cc3c2OCCO3)c1N1CCCCC1)=O |
| InChI | InChI=1S/C22H22N2O4S/c25-29(26,16-7-3-1-4-8-16)21-15-23-18-14-20-19(27-11-12-28-20)13-17(18)22(21)24-9-5-2-6-10-24/h1,3-4,7-8,13-15H,2,5-6,9-12H2 |
| InChIK | ZBPGHXODILJVJR-UHFFFAOYSA-N |
| TotalMolweight | 410.493 |
| Molweight | 410.493 |
| MonoisotopicMass | 410.130028 |
| CLogP | 3.4926 |
| CLogS | -5.032 |
| H Acceptors | 6 |
| TotalSurfaceArea | 294.58 |
| Relative PSA | 0.2142 |
| PolarSurfaceArea | 77.11 |
| Druglikeness | -15.052 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline | 2 - 8-(benzenesulfonyl)-9-piperidin-1-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
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