1-(1-adamantyl)-3-[(Z)-(4-cyclooctyloxyphenyl)methylideneamino]urea
Formula:C26H37N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(1-adamantyl)-3-[(Z)-(4-cyclooctyloxyphenyl)methylideneamino]urea is not a drug-like molecule.
| MolName | 1-(1-adamantyl)-3-[(Z)-(4-cyclooctyloxyphenyl)methylideneamino]urea |
| MolecularFormula | C26H37N3O2 |
| Smiles | O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c(cc1)ccc1OC1CCCCCCC1 |
| InChI | InChI=1S/C26H37N3O2/c30-25(28-26-15-20-12-21(16-26)14-22(13-20)17-26)29-27-18-19-8-10-24(11-9-19)31-23-6-4-2-1-3-5-7-23/h8-11,18,20-23H,1-7,12-17H2,(H2,28,29,30) |
| InChIK | WJOBEYBKFYEWGO-UHFFFAOYSA-N |
| TotalMolweight | 423.599 |
| Molweight | 423.599 |
| MonoisotopicMass | 423.288577 |
| CLogP | 6.4612 |
| CLogS | -7.197 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 333.98 |
| Relative PSA | 0.17208 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | -0.51848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 19 |
| Symmetricatoms | 11 |
| Amides | 1 |
| StereoCon |
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1 - 1-(1-adamantyl)-3-[(Z)-(4-cyclooctyloxyphenyl)methylideneamino]urea | 2 - 1-(1-adamantyl)-3-[(Z)-(4-cyclooctyloxyphenyl)methylideneamino]urea
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