Common name
N-(dihydroxy-λ3-sulfanyl)-4-methylaniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-4-methylaniline
SMILES
Cc1ccc(cc1)N[S](O)O
Common name
N-(dihydroxy-λ3-sulfanyl)-4-methylaniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-4-methylaniline
SMILES
Cc1ccc(cc1)N[S](O)O
INCHI
InChI=1S/C7H10NO2S/c1-6-2-4-7(5-3-6)8-11(9)10/h2-5,8-10H,1H3
FORMULA
C7H10NO2S
Common name
N-(dihydroxy-λ3-sulfanyl)-4-methylaniline
IUPAC name
N-(dihydroxy-λ3-sulfanyl)-4-methylaniline
Molecular weight
172.225
clogP
-0.947
clogS
-1.190
Frequency
0.0003
HBond Acceptor
2
HBond Donor
3
Total PolarSurface Area
52.49
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02962 | tolylfluanid |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gmv_ligand_2_8.mol2 | 2gmv | 1 | -6.07 | O[S](O)Nc1ccc(cc1)C | 11 |
| 1fls_ligand_1_0.mol2 | 1fls | 0.903226 | -5.91 | N([S](O)O)c1ccccc1C | 11 |
| 2o4p_ligand_2_49.mol2 | 2o4p | 0.875 | -6.85 | Cc1cccc(N[S](O)O)c1 | 11 |
| 2o4n_ligand_2_49.mol2 | 2o4n | 0.875 | -6.83 | Cc1cccc(N[S](O)O)c1 | 11 |
| 2o4l_ligand_2_49.mol2 | 2o4l | 0.875 | -6.77 | N([S](O)O)c1cccc(c1)C | 11 |
| 1d4y_ligand_2_46.mol2 | 1d4y | 0.875 | -6.72 | Cc1cc(ccc1)N[S](O)O | 11 |
| 1uvt_ligand_1_5.mol2 | 1uvt | 0.875 | -6.64 | c1cc(cc(c1)N[S](O)O)C | 11 |
109 ,
11
