Common name
1-(dihydroxy-λ3-sulfanyl)naphthalene
IUPAC name
1-(dihydroxy-λ3-sulfanyl)naphthalene
SMILES
c1cc2c(cc1)c(ccc2)[S](O)O
Common name
1-(dihydroxy-λ3-sulfanyl)naphthalene
IUPAC name
1-(dihydroxy-λ3-sulfanyl)naphthalene
SMILES
c1cc2c(cc1)c(ccc2)[S](O)O
INCHI
InChI=1S/C10H9O2S/c11-13(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H
FORMULA
C10H9O2S
Common name
1-(dihydroxy-λ3-sulfanyl)naphthalene
IUPAC name
1-(dihydroxy-λ3-sulfanyl)naphthalene
Molecular weight
193.242
clogP
0.476
clogS
-1.981
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 |
|---|---|---|---|---|---|
| 1ybg_ligand_1_4.mol2 | 1ybg | 1 | -6.58 | c1cc2c(cc1)cc(cc2)[S](O)O | 13 |
| 1jg0_ligand_1_7.mol2 | 1jg0 | 1 | -6.42 | [S](O)(O)c1c2ccccc2ccc1 | 13 |
| 3blu_ligand_1_1.mol2 | 3blu | 0.952381 | -6.80 | c1(ccccc1)[S](O)O | 9 |
| 4v24_ligand_1_0.mol2 | 4v24 | 0.952381 | -6.76 | O[S](O)c1ccccc1 | 9 |
| 4xt9_ligand_1_4.mol2 | 4xt9 | 0.952381 | -6.62 | c1ccccc1[S](O)O | 9 |
| 2ow2_ligand_1_1.mol2 | 2ow2 | 0.952381 | -6.59 | [S](O)(O)c1ccccc1 | 9 |
| 2pjt_ligand_1_3.mol2 | 2pjt | 0.952381 | -6.59 | [S](O)(O)c1ccccc1 | 9 |
| 4nie_ligand_1_9.mol2 | 4nie | 0.952381 | -6.56 | c1ccc(cc1)[S](O)O | 9 |
112 ,
12
