3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one
Formula:C26H23NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one is a drug-like molecule.
| MolName | 3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one |
| MolecularFormula | C26H23NO3 |
| Smiles | OC(CC(/C=C/c1ccccc1)=O)(c(cccc1)c1N1CCc2ccccc2)C1=O |
| InChI | InChI=1S/C26H23NO3/c28-22(16-15-20-9-3-1-4-10-20)19-26(30)23-13-7-8-14-24(23)27(25(26)29)18-17-21-11-5-2-6-12-21/h1-16,30H,17-19H2/t26-/m0/s1 |
| InChIK | PZNMLJIQGSBDRM-SANMLTNESA-N |
| TotalMolweight | 397.473 |
| Molweight | 397.473 |
| MonoisotopicMass | 397.167794 |
| CLogP | 4.2708 |
| CLogS | -5.016 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.62 |
| Relative PSA | 0.13801 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 5.5488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one | 2 - 3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one
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