(4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
Formula:C30H30N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C30H30N2O5 |
| Smiles | O/C(/c(cc1)ccc1OCc1ccccc1)=C(\C(c1ccccc1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C30H30N2O5/c33-28(24-11-13-25(14-12-24)37-21-22-7-3-1-4-8-22)26-27(23-9-5-2-6-10-23)32(30(35)29(26)34)16-15-31-17-19-36-20-18-31/h1-14,27,33H,15-21H2/t27-/m0/s1 |
| InChIK | AGLBSQAZBLLMEH-MHZLTWQESA-N |
| TotalMolweight | 498.577 |
| Molweight | 498.577 |
| MonoisotopicMass | 498.215473 |
| CLogP | 2.956 |
| CLogS | -2.979 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 379.97 |
| Relative PSA | 0.17443 |
| PolarSurfaceArea | 79.31 |
| Druglikeness | 0.77144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
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