4-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C21H23N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.
| MolName | 4-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C21H23N3O3 |
| Smiles | O=C(C(C1C2=O)C3C=CC1C31CC1)N2/N=C\c1ccc(N2CCCCC2)o1 |
| InChI | InChI=1S/C21H23N3O3/c25-19-17-14-5-6-15(21(14)8-9-21)18(17)20(26)24(19)22-12-13-4-7-16(27-13)23-10-2-1-3-11-23/h4-7,12,14-15,17-18H,1-3,8-11H2 |
| InChIK | WIMVPYBEPMZMEC-UHFFFAOYSA-N |
| TotalMolweight | 365.432 |
| Molweight | 365.432 |
| MonoisotopicMass | 365.173942 |
| CLogP | 2.4192 |
| CLogS | -4.89 |
| H Acceptors | 6 |
| TotalSurfaceArea | 259.54 |
| Relative PSA | 0.22655 |
| PolarSurfaceArea | 66.12 |
| Druglikeness | 6.8408 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - 4-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
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