| MolName | 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one |
| MolecularFormula | C24H28N2O6 |
| Smiles | Oc(cc1)cc(O2)c1C(CC(N(CC1)CCC1N(CC1(CCCCC1)O1)C1=O)=O)=CC2=O |
| InChI | InChI=1S/C24H28N2O6/c27-18-4-5-19-16(13-22(29)31-20(19)14-18)12-21(28)25-10-6-17(7-11-25)26-15-24(32-23(26)30)8-2-1-3-9-24/h4-5,13-14,17,27H,1-3,6-12,15H2 |
| InChIK | MLMUCCGMSVXYBI-UHFFFAOYSA-N |
| TotalMolweight | 440.494 |
| Molweight | 440.494 |
| MonoisotopicMass | 440.194738 |
| CLogP | 2.4673 |
| CLogS | -3.491 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 318.44 |
| Relative PSA | 0.24909 |
| PolarSurfaceArea | 96.38 |
| Druglikeness | -6.1163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one | 2 - 3-[1-[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one