(E)-3-(1H-indol-3-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
Formula:C22H20N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C22H20N3O3F3 |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1 |
| InChI | InChI=1S/C22H20F3N3O3/c23-22(24,25)16-6-7-20(27-12-16)31-14-17-13-28(9-10-30-17)21(29)8-5-15-11-26-19-4-2-1-3-18(15)19/h1-8,11-12,17,26H,9-10,13-14H2/t17-/m1/s1 |
| InChIK | FJHDJZUNTAXTDK-QGZVFWFLSA-N |
| TotalMolweight | 431.413 |
| Molweight | 431.413 |
| MonoisotopicMass | 431.145676 |
| CLogP | 3.2447 |
| CLogS | -4.057 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314 |
| Relative PSA | 0.19602 |
| PolarSurfaceArea | 67.45 |
| Druglikeness | -3.9373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - (E)-3-(1H-indol-3-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(1H-indol-3-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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