3-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C15H15N3O2F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C15H15N3O2F2 |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C15H15F2N3O2/c16-11-5-4-10(12(17)8-11)9-18-20-13(21)15(19-14(20)22)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2,(H,19,22) |
| InChIK | XFFJQYNLQVJEAF-UHFFFAOYSA-N |
| TotalMolweight | 307.299 |
| Molweight | 307.299 |
| MonoisotopicMass | 307.113233 |
| CLogP | 2.3524 |
| CLogS | -4.364 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.19 |
| Relative PSA | 0.23888 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 0.21233 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(2,4-difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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