3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C22H23N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C22H23N3O3 |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C22H23N3O3/c26-20-22(13-5-2-6-14-22)24-21(27)25(20)23-15-17-9-11-19(12-10-17)28-16-18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,27) |
| InChIK | BDUCOZAPFFVGSZ-UHFFFAOYSA-N |
| TotalMolweight | 377.443 |
| Molweight | 377.443 |
| MonoisotopicMass | 377.173942 |
| CLogP | 3.4989 |
| CLogS | -5.077 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.01 |
| Relative PSA | 0.21511 |
| PolarSurfaceArea | 71 |
| Druglikeness | 1.3269 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(4-phenylmethoxyphenyl)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