(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
Formula:C17H17N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one |
| MolecularFormula | C17H17N3O3F2 |
| Smiles | O=C(/C=C/c1cnc[nH]1)N1CC(COc(cc(cc2)F)c2F)OCC1 |
| InChI | InChI=1S/C17H17F2N3O3/c18-12-1-3-15(19)16(7-12)25-10-14-9-22(5-6-24-14)17(23)4-2-13-8-20-11-21-13/h1-4,7-8,11,14H,5-6,9-10H2,(H,20,21)/t14-/m1/s1 |
| InChIK | GHDGJKPHWPHTEL-CQSZACIVSA-N |
| TotalMolweight | 349.336 |
| Molweight | 349.336 |
| MonoisotopicMass | 349.123798 |
| CLogP | 1.4223 |
| CLogS | -2.491 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.64 |
| Relative PSA | 0.23435 |
| PolarSurfaceArea | 67.45 |
| Druglikeness | 2.5068 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one | 2 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
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