1-(1-adamantyl)-3-[(Z)-pyridin-2-ylmethylideneamino]urea
Formula:C17H22N4O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(1-adamantyl)-3-[(Z)-pyridin-2-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1-(1-adamantyl)-3-[(Z)-pyridin-2-ylmethylideneamino]urea |
| MolecularFormula | C17H22N4O |
| Smiles | O=C(NC1(CC(C2)C3)CC3CC2C1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C17H22N4O/c22-16(21-19-11-15-3-1-2-4-18-15)20-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2,(H2,20,21,22) |
| InChIK | UETPNTVCIIQWDP-UHFFFAOYSA-N |
| TotalMolweight | 298.389 |
| Molweight | 298.389 |
| MonoisotopicMass | 298.179361 |
| CLogP | 2.6151 |
| CLogS | -4.294 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.42 |
| Relative PSA | 0.25697 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 4.6327 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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