(1R,9R)-11-[(E)-3-(furan-2-yl)prop-2-enoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Formula:C18H18N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1R,9R)-11-[(E)-3-(furan-2-yl)prop-2-enoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is a drug-like molecule.
| MolName | (1R,9R)-11-[(E)-3-(furan-2-yl)prop-2-enoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| MolecularFormula | C18H18N2O3 |
| Smiles | O=C(/C=C/c1ccco1)N(C[C@@H](C1)CN23)C[C@@H]1C3=CC=CC2=O |
| InChI | InChI=1S/C18H18N2O3/c21-17(7-6-15-3-2-8-23-15)19-10-13-9-14(12-19)16-4-1-5-18(22)20(16)11-13/h1-8,13-14H,9-12H2/t13-,14+/m0/s1 |
| InChIK | TXQCXCNVHIUDLG-UONOGXRCSA-N |
| TotalMolweight | 310.352 |
| Molweight | 310.352 |
| MonoisotopicMass | 310.131743 |
| CLogP | 1.6556 |
| CLogS | -2.446 |
| H Acceptors | 5 |
| TotalSurfaceArea | 236.3 |
| Relative PSA | 0.20013 |
| PolarSurfaceArea | 53.76 |
| Druglikeness | 2.9176 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,9R)-11-[(E)-3-(furan-2-yl)prop-2-enoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one | 2 - (1R,9R)-11-[(E)-3-(furan-2-yl)prop-2-enoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
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