(4Z)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione
Formula:C23H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione |
| MolecularFormula | C23H25N3O3 |
| Smiles | O/C(/c1ccccc1)=C(/C(c1ccccc1)N(CCN1CCNCC1)C1=O)\C1=O |
| InChI | InChI=1S/C23H25N3O3/c27-21(18-9-5-2-6-10-18)19-20(17-7-3-1-4-8-17)26(23(29)22(19)28)16-15-25-13-11-24-12-14-25/h1-10,20,24,27H,11-16H2/t20-/m0/s1 |
| InChIK | ZEASXYPOFHMWSK-FQEVSTJZSA-N |
| TotalMolweight | 391.47 |
| Molweight | 391.47 |
| MonoisotopicMass | 391.189592 |
| CLogP | 1.4644 |
| CLogS | -1.502 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 297.91 |
| Relative PSA | 0.19382 |
| PolarSurfaceArea | 72.88 |
| Druglikeness | 1.4867 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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