Common name
[hydroxy(methyl)-λ3-sulfanyl]cyanamide
IUPAC name
[hydroxy(methyl)-λ3-sulfanyl]cyanamide
SMILES
[S@@](NC#N)(O)C
Common name
[hydroxy(methyl)-λ3-sulfanyl]cyanamide
IUPAC name
[hydroxy(methyl)-λ3-sulfanyl]cyanamide
SMILES
[S@@](NC#N)(O)C
INCHI
InChI=1S/C2H5N2OS/c1-6(5)4-2-3/h4-5H,1H3
FORMULA
C2H5N2OS
Common name
[hydroxy(methyl)-λ3-sulfanyl]cyanamide
IUPAC name
[hydroxy(methyl)-λ3-sulfanyl]cyanamide
Molecular weight
105.139
clogP
-2.077
clogS
0.126
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
56.05
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02314 | sulfoxaflor |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_1.mol2 | 4m3f | 0.411765 | -5.58 | O[S](O)NC | 5 |
| 4m3g_ligand_1_2.mol2 | 4m3g | 0.411765 | -5.58 | CN[S](O)O | 5 |
| 4jxs_ligand_1_1.mol2 | 4jxs | 0.411765 | -5.50 | CN[S](O)O | 5 |
| 4jxw_ligand_1_3.mol2 | 4jxw | 0.411765 | -5.48 | CN[S](O)O | 5 |
| 4yff_ligand_frag_3.mol2 | 4yff | 0.411765 | -5.48 | N([S](O)O)C | 5 |
| 2jsd_ligand_1_3.mol2 | 2jsd | 0.411765 | -5.47 | [S](O)(O)NC | 5 |
| 4yfi_ligand_frag_3.mol2 | 4yfi | 0.411765 | -5.46 | N([S](O)O)C | 5 |
| 2jnp_ligand_1_3.mol2 | 2jnp | 0.411765 | -5.45 | [S](O)(O)NC | 5 |
| 2jsd_ligand_1_2.mol2 | 2jsd | 0.411765 | -5.44 | CN[S](O)O | 5 |
| 3d78_ligand_1_1.mol2 | 3d78 | 0.411765 | -5.44 | O[S](O)NC | 5 |
535 ,
54
