Common name
(dimethyl-λ3-sulfanyl)methane
IUPAC name
(dimethyl-λ3-sulfanyl)methane
SMILES
[S](C)(C)C
Common name
(dimethyl-λ3-sulfanyl)methane
IUPAC name
(dimethyl-λ3-sulfanyl)methane
SMILES
[S](C)(C)C
INCHI
InChI=1S/C3H9S/c1-4(2)3/h1-3H3
FORMULA
C3H9S
Common name
(dimethyl-λ3-sulfanyl)methane
IUPAC name
(dimethyl-λ3-sulfanyl)methane
Molecular weight
77.169
clogP
-0.713
clogS
-1.029
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| 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 |
|---|---|---|---|---|---|
| 4ega_ligand_1_2.mol2 | 4ega | 1 | -5.61 | S(C)C | 3 |
| 4eg4_ligand_1_2.mol2 | 4eg4 | 1 | -5.60 | CSC | 3 |
| 4eg6_ligand_1_2.mol2 | 4eg6 | 1 | -5.60 | CSC | 3 |
| 4eg7_ligand_1_2.mol2 | 4eg7 | 1 | -5.59 | S(C)C | 3 |
| 4eg5_ligand_1_2.mol2 | 4eg5 | 1 | -5.58 | S(C)C | 3 |
| 3chg_ligand_frag_1.mol2 | 3chg | 1 | -5.57 | S(C)C | 3 |
| 1pfy_ligand_1_3.mol2 | 1pfy | 1 | -5.55 | CSC | 3 |
| 1pg2_ligand_1_2.mol2 | 1pg2 | 1 | -5.54 | CSC | 3 |
| 3f3d_ligand_1_2.mol2 | 3f3d | 1 | -5.53 | CSC | 3 |
| 4gbd_ligand_1_2.mol2 | 4gbd | 1 | -5.52 | S(C)C | 3 |
179 ,
18
