4-[[4-[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
Formula:C24H22NO5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is a drug-like molecule.
| MolName | 4-[[4-[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one |
| MolecularFormula | C24H22NO5F3 |
| Smiles | O=C(/C=C/c1cccc(OC(F)(F)F)c1)N1CC(COc2c(CCC3=O)c3ccc2)OCC1 |
| InChI | InChI=1S/C24H22F3NO5/c25-24(26,27)33-17-4-1-3-16(13-17)7-10-23(30)28-11-12-31-18(14-28)15-32-22-6-2-5-19-20(22)8-9-21(19)29/h1-7,10,13,18H,8-9,11-12,14-15H2/t18-/m1/s1 |
| InChIK | FPLLPDYXGSXFSL-GOSISDBHSA-N |
| TotalMolweight | 461.435 |
| Molweight | 461.435 |
| MonoisotopicMass | 461.145008 |
| CLogP | 4.3695 |
| CLogS | -5.05 |
| H Acceptors | 6 |
| TotalSurfaceArea | 332.84 |
| Relative PSA | 0.17916 |
| PolarSurfaceArea | 65.07 |
| Druglikeness | -5.7966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 4-[[4-[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one | 2 - 4-[[4-[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
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