[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3Z)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C31H25NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3Z)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3Z)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C31H25NO5 |
| Smiles | Cc1ccc(/C=C2\c3nc4ccccc4c(C(OCC(c(cc4)cc5c4OCCO5)=O)=O)c3CC2)cc1 |
| InChI | InChI=1S/C31H25NO5/c1-19-6-8-20(9-7-19)16-22-10-12-24-29(23-4-2-3-5-25(23)32-30(22)24)31(34)37-18-26(33)21-11-13-27-28(17-21)36-15-14-35-27/h2-9,11,13,16-17H,10,12,14-15,18H2,1H3 |
| InChIK | MEDNAIVJKZKASW-UHFFFAOYSA-N |
| TotalMolweight | 491.542 |
| Molweight | 491.542 |
| MonoisotopicMass | 491.173274 |
| CLogP | 5.5368 |
| CLogS | -6.813 |
| H Acceptors | 6 |
| TotalSurfaceArea | 370.41 |
| Relative PSA | 0.18102 |
| PolarSurfaceArea | 74.72 |
| Druglikeness | -5.8278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3Z)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (3Z)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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