2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Formula:C25H25N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is a drug-like molecule.
| MolName | 2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one |
| MolecularFormula | C25H25N2O4F |
| Smiles | OC(C(N(CCN1CCOCC1)C1c(cc2)ccc2F)=O)=C1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C25H25FN2O4/c26-20-9-7-19(8-10-20)23-22(21(29)11-6-18-4-2-1-3-5-18)24(30)25(31)28(23)13-12-27-14-16-32-17-15-27/h1-11,23,30H,12-17H2/t23-/m1/s1 |
| InChIK | LXQXGAVRELDAKH-HSZRJFAPSA-N |
| TotalMolweight | 436.481 |
| Molweight | 436.481 |
| MonoisotopicMass | 436.179836 |
| CLogP | 2.2144 |
| CLogS | -2.662 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 329.3 |
| Relative PSA | 0.17091 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | 3.433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one | 2 - 2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
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