Common name
[[(dihydroxy-λ3-sulfanyl)amino]-methyl-λ3-sulfanyl]methane
IUPAC name
[[(dihydroxy-λ3-sulfanyl)amino]-methyl-λ3-sulfanyl]methane
SMILES
N([S](C)C)[S](O)O
Common name
[[(dihydroxy-λ3-sulfanyl)amino]-methyl-λ3-sulfanyl]methane
IUPAC name
[[(dihydroxy-λ3-sulfanyl)amino]-methyl-λ3-sulfanyl]methane
SMILES
N([S](C)C)[S](O)O
INCHI
InChI=1S/C2H9NO2S2/c1-6(2)3-7(4)5/h3-5H,1-2H3
FORMULA
C2H9NO2S2
Common name
[[(dihydroxy-λ3-sulfanyl)amino]-methyl-λ3-sulfanyl]methane
IUPAC name
[[(dihydroxy-λ3-sulfanyl)amino]-methyl-λ3-sulfanyl]methane
Molecular weight
143.228
clogP
-3.277
clogS
0.239
Frequency
0.0003
HBond Acceptor
2
HBond Donor
3
Total PolarSurface Area
52.49
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02882 | prosulfalin |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pwq_ligand_2_0.mol2 | 1pwq | 0.5 | -5.06 | C=CSC | 4 |
| 1rql_ligand.mol2 | 1rql | 0.416667 | -6.32 | OS(C=C)(O)O | 7 |
| 4m3f_ligand_1_1.mol2 | 4m3f | 0.416667 | -5.58 | O[S](O)NC | 5 |
| 4m3g_ligand_1_2.mol2 | 4m3g | 0.416667 | -5.58 | CN[S](O)O | 5 |
| 4jxs_ligand_1_1.mol2 | 4jxs | 0.416667 | -5.50 | CN[S](O)O | 5 |
| 4jxw_ligand_1_3.mol2 | 4jxw | 0.416667 | -5.48 | CN[S](O)O | 5 |
| 4yff_ligand_frag_3.mol2 | 4yff | 0.416667 | -5.48 | N([S](O)O)C | 5 |
| 2jsd_ligand_1_3.mol2 | 2jsd | 0.416667 | -5.47 | [S](O)(O)NC | 5 |
| 4yfi_ligand_frag_3.mol2 | 4yfi | 0.416667 | -5.46 | N([S](O)O)C | 5 |
| 2jnp_ligand_1_3.mol2 | 2jnp | 0.416667 | -5.45 | [S](O)(O)NC | 5 |
539 ,
54
