6-phenoxy-4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydrothieno[3,2-c]quinoline
Formula:C32H25NO2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-phenoxy-4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydrothieno[3,2-c]quinoline is not a drug-like molecule.
| MolName | 6-phenoxy-4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydrothieno[3,2-c]quinoline |
| MolecularFormula | C32H25NO2S |
| Smiles | C(c1ccccc1)Oc1ccc(/C=C/c(c2c(c3ccc4)SCC2)nc3c4Oc2ccccc2)cc1 |
| InChI | InChI=1S/C32H25NO2S/c1-3-8-24(9-4-1)22-34-25-17-14-23(15-18-25)16-19-29-27-20-21-36-32(27)28-12-7-13-30(31(28)33-29)35-26-10-5-2-6-11-26/h1-19H,20-22H2 |
| InChIK | KFNDTFYYAQLJFY-UHFFFAOYSA-N |
| TotalMolweight | 487.622 |
| Molweight | 487.622 |
| MonoisotopicMass | 487.160599 |
| CLogP | 6.8278 |
| CLogS | -9.249 |
| H Acceptors | 3 |
| TotalSurfaceArea | 377.67 |
| Relative PSA | 0.12831 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | -1.0688 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 6-phenoxy-4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydrothieno[3,2-c]quinoline | 2 - 6-phenoxy-4-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydrothieno[3,2-c]quinoline
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