(Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol
Formula:C15H22N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol is a drug-like molecule.
| MolName | (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol |
| MolecularFormula | C15H22N2OS |
| Smiles | O/C(/C1(CC(C2)C3)CC3CC2C1)=C\SC1=NCCN1 |
| InChI | InChI=1S/C15H22N2OS/c18-13(9-19-14-16-1-2-17-14)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,18H,1-8H2,(H,16,17) |
| InChIK | DBFPTGBWDUXKDQ-UHFFFAOYSA-N |
| TotalMolweight | 278.419 |
| Molweight | 278.419 |
| MonoisotopicMass | 278.145283 |
| CLogP | 2.3981 |
| CLogS | -3.995 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 200.47 |
| Relative PSA | 0.26717 |
| PolarSurfaceArea | 69.92 |
| Druglikeness | 3.2828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol | 2 - (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off