4-[[4-[(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
Formula:C24H21NO4F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is a drug-like molecule.
| MolName | 4-[[4-[(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one |
| MolecularFormula | C24H21NO4F4 |
| Smiles | O=C(/C=C/c(cc1)c(C(F)(F)F)cc1F)N1CC(COc2c(CCC3=O)c3ccc2)OCC1 |
| InChI | InChI=1S/C24H21F4NO4/c25-16-6-4-15(20(12-16)24(26,27)28)5-9-23(31)29-10-11-32-17(13-29)14-33-22-3-1-2-18-19(22)7-8-21(18)30/h1-6,9,12,17H,7-8,10-11,13-14H2/t17-/m1/s1 |
| InChIK | FPYBWBVAHIISGT-QGZVFWFLSA-N |
| TotalMolweight | 463.426 |
| Molweight | 463.426 |
| MonoisotopicMass | 463.140671 |
| CLogP | 4.2196 |
| CLogS | -5.119 |
| H Acceptors | 5 |
| TotalSurfaceArea | 329.19 |
| Relative PSA | 0.15076 |
| PolarSurfaceArea | 55.84 |
| Druglikeness | -4.9866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 4-[[4-[(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one | 2 - 4-[[4-[(E)-3-[4-fluoro-2-(trifluoromethyl)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
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