(E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate
Formula:C24H25N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate is a drug-like molecule.
| MolName | (E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate |
| MolecularFormula | C24H25N2O4F |
| Smiles | [O-]/C(/c(cc1)ccc1F)=C(\C(c1ccccc1)N(CCC[NH+]1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C24H25FN2O4/c25-19-9-7-18(8-10-19)22(28)20-21(17-5-2-1-3-6-17)27(24(30)23(20)29)12-4-11-26-13-15-31-16-14-26/h1-3,5-10,21,28H,4,11-16H2/t21-/m1/s1 |
| InChIK | IFIJFRGNLFUGPP-OAQYLSRUSA-N |
| TotalMolweight | 424.471 |
| Molweight | 424.471 |
| MonoisotopicMass | 424.179836 |
| CLogP | -2.0226 |
| CLogS | -2.222 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.78 |
| Relative PSA | 0.2155 |
| PolarSurfaceArea | 74.11 |
| Druglikeness | -2.7358 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate | 2 - (E)-(4-fluorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate
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