5-chloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
Formula:C24H20NO4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is a drug-like molecule.
| MolName | 5-chloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one |
| MolecularFormula | C24H20NO4Cl |
| Smiles | OC(CC(/C=C/c1ccco1)=O)(c(cc(cc1)Cl)c1N1CCc2ccccc2)C1=O |
| InChI | InChI=1S/C24H20ClNO4/c25-18-8-11-22-21(15-18)24(29,16-19(27)9-10-20-7-4-14-30-20)23(28)26(22)13-12-17-5-2-1-3-6-17/h1-11,14-15,29H,12-13,16H2/t24-/m0/s1 |
| InChIK | ZJODQMSKFATHEJ-DEOSSOPVSA-N |
| TotalMolweight | 421.879 |
| Molweight | 421.879 |
| MonoisotopicMass | 421.108086 |
| CLogP | 4.0655 |
| CLogS | -5.434 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 314.73 |
| Relative PSA | 0.1806 |
| PolarSurfaceArea | 70.75 |
| Druglikeness | 5.6746 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 - 5-chloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one | 2 - 5-chloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
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