(3R)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
Formula:C26H20N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3R)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one is a drug-like molecule.
| MolName | (3R)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one |
| MolecularFormula | C26H20N2O3 |
| Smiles | O[C@](CC(c1ccncc1)=O)(c(cccc1)c1N1Cc2cccc3ccccc23)C1=O |
| InChI | InChI=1S/C26H20N2O3/c29-24(19-12-14-27-15-13-19)16-26(31)22-10-3-4-11-23(22)28(25(26)30)17-20-8-5-7-18-6-1-2-9-21(18)20/h1-15,31H,16-17H2/t26-/m1/s1 |
| InChIK | ZBOLUKQROUNLQH-AREMUKBSSA-N |
| TotalMolweight | 408.456 |
| Molweight | 408.456 |
| MonoisotopicMass | 408.147393 |
| CLogP | 3.4134 |
| CLogS | -5.569 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.72 |
| Relative PSA | 0.17739 |
| PolarSurfaceArea | 70.5 |
| Druglikeness | 4.6959 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (3R)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one | 2 - (3R)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
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