Common name
(3R)-3-ethyldithiolane
IUPAC name
(3R)-3-ethyldithiolane
SMILES
C(C1SSCC1)C
Common name
(3R)-3-ethyldithiolane
IUPAC name
(3R)-3-ethyldithiolane
SMILES
C(C1SSCC1)C
INCHI
InChI=1S/C5H10S2/c1-2-5-3-4-6-7-5/h5H,2-4H2,1H3/t5-/m1/s1
FORMULA
C5H10S2
Common name
(3R)-3-ethyldithiolane
IUPAC name
(3R)-3-ethyldithiolane
Molecular weight
134.263
clogP
2.504
clogS
-1.460
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
50.6
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00055 | Lipoic Acid |
|
Vitamin B Complex; Antioxidants; Dietary Supplements; Micronutrients; Supplements; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ie3_ligand_5_15.mol2 | 3ie3 | 0.434783 | -5.74 | C(CS)CCC | 6 |
| 4f0c_ligand_5_5422.mol2 | 4f0c | 0.434783 | -5.71 | S(SCC)CC | 6 |
| 4zb8_ligand_5_5422.mol2 | 4zb8 | 0.434783 | -5.70 | C(C)SSCC | 6 |
| 3gur_ligand_5_1360.mol2 | 3gur | 0.434783 | -5.60 | SCCCCC | 6 |
| 3gx0_ligand_5_5422.mol2 | 3gx0 | 0.434783 | -5.58 | CCSSCC | 6 |
| 4zb6_ligand_5_5422.mol2 | 4zb6 | 0.434783 | -5.57 | CCSSCC | 6 |
| 4zba_ligand_5_5422.mol2 | 4zba | 0.434783 | -5.57 | S(SCC)CC | 6 |
| 1atl_ligand_3_21.mol2 | 1atl | 0.434783 | -5.53 | C(C)(C)CCCS | 7 |
| 3f9n_ligand_4_33.mol2 | 3f9n | 0.434783 | -5.36 | C(C)CCCS | 6 |
119 ,
12
