(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C31H32N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C31H32N2O5 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1OCc1ccccc1)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C31H32N2O5/c34-29(25-10-5-2-6-11-25)27-28(24-12-14-26(15-13-24)38-22-23-8-3-1-4-9-23)33(31(36)30(27)35)17-7-16-32-18-20-37-21-19-32/h1-6,8-15,28,34H,7,16-22H2/t28-/m0/s1 |
| InChIK | JUFYELHHLNTYDV-NDEPHWFRSA-N |
| TotalMolweight | 512.604 |
| Molweight | 512.604 |
| MonoisotopicMass | 512.231123 |
| CLogP | 3.4104 |
| CLogS | -3.249 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 393.73 |
| Relative PSA | 0.16834 |
| PolarSurfaceArea | 79.31 |
| Druglikeness | 0.81279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 13 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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