(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C21H18NO4F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C21H18NO4F5 |
| Smiles | O=C(/C=C/c1cc(OC(F)(F)F)ccc1)N1CC(COc(cc(cc2)F)c2F)OCC1 |
| InChI | InChI=1S/C21H18F5NO4/c22-15-5-6-18(23)19(11-15)30-13-17-12-27(8-9-29-17)20(28)7-4-14-2-1-3-16(10-14)31-21(24,25)26/h1-7,10-11,17H,8-9,12-13H2/t17-/m1/s1 |
| InChIK | FMVFBRLFMGKZOW-QGZVFWFLSA-N |
| TotalMolweight | 443.367 |
| Molweight | 443.367 |
| MonoisotopicMass | 443.115599 |
| CLogP | 4.3071 |
| CLogS | -4.675 |
| H Acceptors | 5 |
| TotalSurfaceArea | 313.77 |
| Relative PSA | 0.14848 |
| PolarSurfaceArea | 48 |
| Druglikeness | -4.9917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one | 2 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
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