(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Formula:C31H25NO7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.
| MolName | (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione |
| MolecularFormula | C31H25NO7 |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1cc(OCc2ccccc2)ccc1)N(Cc1ccco1)C1=O)/C1=O |
| InChI | InChI=1S/C31H25NO7/c33-29(22-11-12-25-26(17-22)38-15-14-37-25)27-28(32(31(35)30(27)34)18-24-10-5-13-36-24)21-8-4-9-23(16-21)39-19-20-6-2-1-3-7-20/h1-13,16-17,28,33H,14-15,18-19H2/t28-/m0/s1 |
| InChIK | REGYEVKXZRNNSI-NDEPHWFRSA-N |
| TotalMolweight | 523.54 |
| Molweight | 523.54 |
| MonoisotopicMass | 523.163104 |
| CLogP | 3.8728 |
| CLogS | -4.676 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 387.84 |
| Relative PSA | 0.22391 |
| PolarSurfaceArea | 98.44 |
| Druglikeness | -6.6161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(furan-2-ylmethyl)-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
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