(3R)-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one
Formula:C23H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one is a drug-like molecule.
| MolName | (3R)-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one |
| MolecularFormula | C23H19NO3 |
| Smiles | C#CCN(C([C@]1(CC(/C=C/C=C/c2ccccc2)=O)O)=O)c2c1cccc2 |
| InChI | InChI=1S/C23H19NO3/c1-2-16-24-21-15-9-8-14-20(21)23(27,22(24)26)17-19(25)13-7-6-12-18-10-4-3-5-11-18/h1,3-15,27H,16-17H2/t23-/m1/s1 |
| InChIK | ISWIWKUAPSEKCJ-HSZRJFAPSA-N |
| TotalMolweight | 357.408 |
| Molweight | 357.408 |
| MonoisotopicMass | 357.136494 |
| CLogP | 3.1064 |
| CLogS | -4.517 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.41 |
| Relative PSA | 0.14919 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 5.4888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (3R)-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one | 2 - (3R)-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one
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