(3E)-3-[(3-phenylmethoxyphenyl)methylidene]pyrrolidine-2,5-dione
Formula:C18H15NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3-phenylmethoxyphenyl)methylidene]pyrrolidine-2,5-dione is a drug-like molecule.
| MolName | (3E)-3-[(3-phenylmethoxyphenyl)methylidene]pyrrolidine-2,5-dione |
| MolecularFormula | C18H15NO3 |
| Smiles | O=C(C/C1=C\c2cc(OCc3ccccc3)ccc2)NC1=O |
| InChI | InChI=1S/C18H15NO3/c20-17-11-15(18(21)19-17)9-14-7-4-8-16(10-14)22-12-13-5-2-1-3-6-13/h1-10H,11-12H2,(H,19,20,21) |
| InChIK | GPIJRHNDRSGWKS-UHFFFAOYSA-N |
| TotalMolweight | 293.321 |
| Molweight | 293.321 |
| MonoisotopicMass | 293.105194 |
| CLogP | 2.3654 |
| CLogS | -3.554 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.71 |
| Relative PSA | 0.20786 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | 3.74 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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