1-(1-adamantyl)-3-[(Z)-thiophen-2-ylmethylideneamino]urea
Formula:C16H21N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(1-adamantyl)-3-[(Z)-thiophen-2-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1-(1-adamantyl)-3-[(Z)-thiophen-2-ylmethylideneamino]urea |
| MolecularFormula | C16H21N3OS |
| Smiles | O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C16H21N3OS/c20-15(19-17-10-14-2-1-3-21-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H2,18,19,20) |
| InChIK | VTUKSVPIWHVECF-UHFFFAOYSA-N |
| TotalMolweight | 303.429 |
| Molweight | 303.429 |
| MonoisotopicMass | 303.140532 |
| CLogP | 3.4286 |
| CLogS | -5.075 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 224.6 |
| Relative PSA | 0.302 |
| PolarSurfaceArea | 81.73 |
| Druglikeness | 6.2454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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