3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
Formula:C24H21NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is a drug-like molecule.
| MolName | 3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one |
| MolecularFormula | C24H21NO4 |
| Smiles | OC(CC(/C=C/c1ccco1)=O)(c(cccc1)c1N1CCc2ccccc2)C1=O |
| InChI | InChI=1S/C24H21NO4/c26-19(12-13-20-9-6-16-29-20)17-24(28)21-10-4-5-11-22(21)25(23(24)27)15-14-18-7-2-1-3-8-18/h1-13,16,28H,14-15,17H2/t24-/m0/s1 |
| InChIK | XFVMDAOEMXWNEV-DEOSSOPVSA-N |
| TotalMolweight | 387.434 |
| Molweight | 387.434 |
| MonoisotopicMass | 387.147059 |
| CLogP | 3.4595 |
| CLogS | -4.698 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.31 |
| Relative PSA | 0.1899 |
| PolarSurfaceArea | 70.75 |
| Druglikeness | 5.6119 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one | 2 - 3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
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