(4E)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Formula:C23H17NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione |
| MolecularFormula | C23H17NO4 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccccc1)N(C1=O)c(cc2)ccc2O)/C1=O |
| InChI | InChI=1S/C23H17NO4/c25-18-13-11-17(12-14-18)24-20(15-7-3-1-4-8-15)19(22(27)23(24)28)21(26)16-9-5-2-6-10-16/h1-14,20,25-26H/t20-/m0/s1 |
| InChIK | PUZNUNAVSUVFIY-FQEVSTJZSA-N |
| TotalMolweight | 371.391 |
| Molweight | 371.391 |
| MonoisotopicMass | 371.115759 |
| CLogP | 3.0886 |
| CLogS | -3.697 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 273.2 |
| Relative PSA | 0.20436 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | -0.58534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione | 2 - (4E)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off