1-benzyl-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one
Formula:C23H19NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-benzyl-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one is a drug-like molecule.
| MolName | 1-benzyl-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one |
| MolecularFormula | C23H19NO4 |
| Smiles | OC(CC(/C=C/c1ccco1)=O)(c(cccc1)c1N1Cc2ccccc2)C1=O |
| InChI | InChI=1S/C23H19NO4/c25-18(12-13-19-9-6-14-28-19)15-23(27)20-10-4-5-11-21(20)24(22(23)26)16-17-7-2-1-3-8-17/h1-14,27H,15-16H2/t23-/m0/s1 |
| InChIK | BXFBPGZEDQHGMW-QHCPKHFHSA-N |
| TotalMolweight | 373.407 |
| Molweight | 373.407 |
| MonoisotopicMass | 373.131409 |
| CLogP | 3.0294 |
| CLogS | -4.586 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.55 |
| Relative PSA | 0.19905 |
| PolarSurfaceArea | 70.75 |
| Druglikeness | 5.3776 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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