(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Formula:C25H28N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H28N2O6 |
| Smiles | COc1ccc(C(/C(/C2=O)=C(/c(cc3)ccc3OC)\O)N(CCN3CCOCC3)C2=O)cc1 |
| InChI | InChI=1S/C25H28N2O6/c1-31-19-7-3-17(4-8-19)22-21(23(28)18-5-9-20(32-2)10-6-18)24(29)25(30)27(22)12-11-26-13-15-33-16-14-26/h3-10,22,28H,11-16H2,1-2H3/t22-/m0/s1 |
| InChIK | LFXCSCLVTRYACO-QFIPXVFZSA-N |
| TotalMolweight | 452.505 |
| Molweight | 452.505 |
| MonoisotopicMass | 452.194738 |
| CLogP | 1.4679 |
| CLogS | -1.674 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 340.97 |
| Relative PSA | 0.22371 |
| PolarSurfaceArea | 88.54 |
| Druglikeness | 0.80224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
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