3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C16H17N3O3F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C16H17N3O3F2 |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C16H17F2N3O3/c17-14(18)24-12-6-4-11(5-7-12)10-19-21-13(22)16(20-15(21)23)8-2-1-3-9-16/h4-7,10,14H,1-3,8-9H2,(H,20,23) |
| InChIK | QUIYDPGXMDWQOU-UHFFFAOYSA-N |
| TotalMolweight | 337.325 |
| Molweight | 337.325 |
| MonoisotopicMass | 337.123798 |
| CLogP | 2.3202 |
| CLogS | -4.358 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 242.69 |
| Relative PSA | 0.25794 |
| PolarSurfaceArea | 71 |
| Druglikeness | -1.3278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off