Common name
1-(dihydroxy-λ3-sulfanyl)-2-methylnaphthalene
IUPAC name
1-(dihydroxy-λ3-sulfanyl)-2-methylnaphthalene
SMILES
Cc1c(c2c(cccc2)cc1)[S](O)O
Common name
1-(dihydroxy-λ3-sulfanyl)-2-methylnaphthalene
IUPAC name
1-(dihydroxy-λ3-sulfanyl)-2-methylnaphthalene
SMILES
Cc1c(c2c(cccc2)cc1)[S](O)O
INCHI
InChI=1S/C11H11O2S/c1-8-6-7-9-4-2-3-5-10(9)11(8)14(12)13/h2-7,12-13H,1H3
FORMULA
C11H11O2S
Common name
1-(dihydroxy-λ3-sulfanyl)-2-methylnaphthalene
IUPAC name
1-(dihydroxy-λ3-sulfanyl)-2-methylnaphthalene
Molecular weight
207.269
clogP
0.940
clogS
-2.522
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03145 | hydrargaphen |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nga_ligand_2_63.mol2 | 4nga | 0.965517 | -5.67 | Cc1ccccc1[S](O)O | 10 |
| 4xt9_ligand_2_3.mol2 | 4xt9 | 0.83871 | -6.91 | c1cc(ccc1[S](O)O)C | 10 |
| 3b25_ligand_1_0.mol2 | 3b25 | 0.83871 | -6.85 | c1cc(ccc1[S](O)O)C | 10 |
| 4l4m_ligand_2_1.mol2 | 4l4m | 0.83871 | -6.83 | Cc1ccc(cc1)[S](O)O | 10 |
| 4nie_ligand_2_52.mol2 | 4nie | 0.83871 | -6.83 | Cc1ccc(cc1)[S](O)O | 10 |
| 4lts_ligand_2_6.mol2 | 4lts | 0.83871 | -6.77 | [S](O)(O)c1ccc(cc1)C | 10 |
| 4m6q_ligand_2_17.mol2 | 4m6q | 0.83871 | -6.76 | c1(ccc(cc1)C)[S](O)O | 10 |
| 4o28_ligand_2_1.mol2 | 4o28 | 0.83871 | -6.73 | Cc1ccc(cc1)[S](O)O | 10 |
| 4l4l_ligand_2_8.mol2 | 4l4l | 0.83871 | -6.71 | c1(ccc(cc1)C)[S](O)O | 10 |
| 4o10_ligand_2_3.mol2 | 4o10 | 0.83871 | -6.70 | Cc1ccc(cc1)[S](O)O | 10 |
102 ,
11
