(4E)-1-(furan-2-ylmethyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C22H17NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-1-(furan-2-ylmethyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(furan-2-ylmethyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C22H17NO5 |
| Smiles | O/C(/c1ccccc1)=C(\C(c(cc1)ccc1O)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C22H17NO5/c24-16-10-8-14(9-11-16)19-18(20(25)15-5-2-1-3-6-15)21(26)22(27)23(19)13-17-7-4-12-28-17/h1-12,19,24-25H,13H2/t19-/m0/s1 |
| InChIK | CKJGDAGCGCABKX-IBGZPJMESA-N |
| TotalMolweight | 375.379 |
| Molweight | 375.379 |
| MonoisotopicMass | 375.110674 |
| CLogP | 2.2002 |
| CLogS | -2.857 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.65 |
| Relative PSA | 0.25281 |
| PolarSurfaceArea | 90.98 |
| Druglikeness | 0.39816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-1-(furan-2-ylmethyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(furan-2-ylmethyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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