(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Formula:C22H23N2O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C22H23N2O5F |
| Smiles | O/C(/c(cc1)ccc1F)=C(/C(c1ccco1)N(CCCN1CCOCC1)C1=O)\C1=O |
| InChI | InChI=1S/C22H23FN2O5/c23-16-6-4-15(5-7-16)20(26)18-19(17-3-1-12-30-17)25(22(28)21(18)27)9-2-8-24-10-13-29-14-11-24/h1,3-7,12,19,26H,2,8-11,13-14H2/t19-/m0/s1 |
| InChIK | DBKROYIROXBXMS-IBGZPJMESA-N |
| TotalMolweight | 414.432 |
| Molweight | 414.432 |
| MonoisotopicMass | 414.159101 |
| CLogP | 1.3518 |
| CLogS | -1.904 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.25 |
| Relative PSA | 0.22984 |
| PolarSurfaceArea | 83.22 |
| Druglikeness | -0.58671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
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