3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
Formula:C19H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one is a drug-like molecule.
| MolName | 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one |
| MolecularFormula | C19H20N2O3 |
| Smiles | O=C(/C=C/C1=Cc(cccc2CCC3)c2N3C1=O)N1CCOCC1 |
| InChI | InChI=1S/C19H20N2O3/c22-17(20-9-11-24-12-10-20)7-6-16-13-15-4-1-3-14-5-2-8-21(18(14)15)19(16)23/h1,3-4,6-7,13H,2,5,8-12H2 |
| InChIK | CPXGZRKDDRBHIG-UHFFFAOYSA-N |
| TotalMolweight | 324.379 |
| Molweight | 324.379 |
| MonoisotopicMass | 324.147393 |
| CLogP | 1.9031 |
| CLogS | -2.615 |
| H Acceptors | 5 |
| TotalSurfaceArea | 246.39 |
| Relative PSA | 0.17525 |
| PolarSurfaceArea | 49.85 |
| Druglikeness | 1.8872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one | 2 - 3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
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