Common name
(dimethyl-λ3-sulfanyl)ethane
IUPAC name
(dimethyl-λ3-sulfanyl)ethane
SMILES
[S](C)(C)CC
Common name
(dimethyl-λ3-sulfanyl)ethane
IUPAC name
(dimethyl-λ3-sulfanyl)ethane
SMILES
[S](C)(C)CC
INCHI
InChI=1S/C4H11S/c1-4-5(2)3/h4H2,1-3H3
FORMULA
C4H11S
Common name
(dimethyl-λ3-sulfanyl)ethane
IUPAC name
(dimethyl-λ3-sulfanyl)ethane
Molecular weight
91.195
clogP
-0.315
clogS
-1.465
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00011 | S-Adenosylmethionine |
|
Dietary Supplements; Micronutrients; Supplements; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of depression, liver disorders, fibromyalgia, and osteoarthritis.Also as a dietary supplement for the support of bone and joint health, as well as mood and emotional well being. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg4_ligand_2_2.mol2 | 4eg4 | 1 | -5.99 | CCSC | 4 |
| 4ega_ligand_2_2.mol2 | 4ega | 1 | -5.99 | CCSC | 4 |
| 4eg5_ligand_2_2.mol2 | 4eg5 | 1 | -5.98 | CCSC | 4 |
| 4eg6_ligand_2_2.mol2 | 4eg6 | 1 | -5.98 | C(SC)C | 4 |
| 4eg7_ligand_2_2.mol2 | 4eg7 | 1 | -5.95 | S(C)CC | 4 |
| 3f3d_ligand_2_2.mol2 | 3f3d | 1 | -5.91 | C(SC)C | 4 |
| 1pfy_ligand_2_13.mol2 | 1pfy | 1 | -5.88 | CCSC | 4 |
| 1pg2_ligand_2_2.mol2 | 1pg2 | 1 | -5.86 | CCSC | 4 |
| 1pfu_ligand_2_5.mol2 | 1pfu | 1 | -5.79 | CCSC | 4 |
142 ,
15
