(4Z)-5-(1,3-benzodioxol-5-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Formula:C24H24N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-5-(1,3-benzodioxol-5-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-5-(1,3-benzodioxol-5-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H24N2O6 |
| Smiles | O/C(/c1ccccc1)=C(/C(c(cc1)cc2c1OCO2)N(CCN1CCOCC1)C1=O)\C1=O |
| InChI | InChI=1S/C24H24N2O6/c27-22(16-4-2-1-3-5-16)20-21(17-6-7-18-19(14-17)32-15-31-18)26(24(29)23(20)28)9-8-25-10-12-30-13-11-25/h1-7,14,21,27H,8-13,15H2/t21-/m0/s1 |
| InChIK | FKADFNFNTGLKDT-NRFANRHFSA-N |
| TotalMolweight | 436.463 |
| Molweight | 436.463 |
| MonoisotopicMass | 436.163438 |
| CLogP | 1.7193 |
| CLogS | -2.349 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 316.71 |
| Relative PSA | 0.24085 |
| PolarSurfaceArea | 88.54 |
| Druglikeness | 0.73707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4Z)-5-(1,3-benzodioxol-5-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4Z)-5-(1,3-benzodioxol-5-yl)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
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