(5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Formula:C25H27N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C25H27N2O5Cl |
| Smiles | COc(cc1)ccc1C(O)=C([C@H](c(cc1)ccc1Cl)N(CCCN1CCOCC1)C1=O)C1=O |
| InChI | InChI=1S/C25H27ClN2O5/c1-32-20-9-5-18(6-10-20)23(29)21-22(17-3-7-19(26)8-4-17)28(25(31)24(21)30)12-2-11-27-13-15-33-16-14-27/h3-10,22,29H,2,11-16H2,1H3/t22-/m0/s1 |
| InChIK | QWWUJFJYUVWCCM-QFIPXVFZSA-N |
| TotalMolweight | 470.951 |
| Molweight | 470.951 |
| MonoisotopicMass | 470.16085 |
| CLogP | 2.5983 |
| CLogS | -2.662 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 347.89 |
| Relative PSA | 0.19052 |
| PolarSurfaceArea | 79.31 |
| Druglikeness | 0.8955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| 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 | 13 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (5S)-5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
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