10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
Formula:C18H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is a drug-like molecule.
| MolName | 10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one |
| MolecularFormula | C18H18N2O3 |
| Smiles | O=C(/C=C/C1=Cc(cccc2CC3)c2N3C1=O)N1CCOCC1 |
| InChI | InChI=1S/C18H18N2O3/c21-16(19-8-10-23-11-9-19)5-4-15-12-14-3-1-2-13-6-7-20(17(13)14)18(15)22/h1-5,12H,6-11H2 |
| InChIK | ZOGINZWKZPVJOC-UHFFFAOYSA-N |
| TotalMolweight | 310.352 |
| Molweight | 310.352 |
| MonoisotopicMass | 310.131743 |
| CLogP | 1.5611 |
| CLogS | -2.345 |
| H Acceptors | 5 |
| TotalSurfaceArea | 232.63 |
| Relative PSA | 0.18562 |
| PolarSurfaceArea | 49.85 |
| Druglikeness | 2.7852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one | 2 - 10-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
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