Common name
1-(dihydroxy-λ3-sulfanyl)propane
IUPAC name
1-(dihydroxy-λ3-sulfanyl)propane
SMILES
C(CC)[S](O)O
Common name
1-(dihydroxy-λ3-sulfanyl)propane
IUPAC name
1-(dihydroxy-λ3-sulfanyl)propane
SMILES
C(CC)[S](O)O
INCHI
InChI=1S/C3H9O2S/c1-2-3-6(4)5/h4-5H,2-3H2,1H3
FORMULA
C3H9O2S
Common name
1-(dihydroxy-λ3-sulfanyl)propane
IUPAC name
1-(dihydroxy-λ3-sulfanyl)propane
Molecular weight
109.167
clogP
-1.537
clogS
0.023
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
40.46
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD02363 | epronaz |
|
Herbicide | Herbicide |
| FDBD03267 | sultropen |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1exw_ligand_3_0.mol2 | 1exw | 1 | -5.75 | C(C)C[S](O)O | 6 |
| 2hm1_ligand_3_12.mol2 | 2hm1 | 1 | -5.45 | C(CC)[S](O)O | 6 |
| 2viy_ligand_3_357.mol2 | 2viy | 1 | -5.35 | [S](O)(O)CCC | 6 |
| 1mem_ligand_3_164.mol2 | 1mem | 1 | -5.34 | [S](O)(O)CCC | 6 |
| 3hd3_ligand_3_45.mol2 | 3hd3 | 1 | -5.34 | C(CC)[S](O)O | 6 |
| 3bwk_ligand_3_170.mol2 | 3bwk | 1 | -5.33 | CCC[S](O)O | 6 |
| 1npz_ligand_3_170.mol2 | 1npz | 1 | -5.30 | CCC[S](O)O | 6 |
107 ,
11
