(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C30H29N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C30H29N2O5Cl |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1OCc1ccccc1)N(CCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C30H29ClN2O5/c31-24-10-6-23(7-11-24)28(34)26-27(33(30(36)29(26)35)15-14-32-16-18-37-19-17-32)22-8-12-25(13-9-22)38-20-21-4-2-1-3-5-21/h1-13,27,34H,14-20H2/t27-/m1/s1 |
| InChIK | SUYYDZQPYNSUMI-HHHXNRCGSA-N |
| TotalMolweight | 533.022 |
| Molweight | 533.022 |
| MonoisotopicMass | 532.1765 |
| CLogP | 3.562 |
| CLogS | -3.715 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 395.39 |
| Relative PSA | 0.16763 |
| PolarSurfaceArea | 79.31 |
| Druglikeness | 0.81027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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