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 |
|---|---|---|---|---|---|
| 1qtn_ligand.mol2 | 1qtn | 0.472222 | -6.33 | S1C[C@H](O)[C@@H](O)CS1 | 9 |
| 2izx_ligand.mol2 | 2izx | 0.472222 | -6.10 | S1C[C@H](O)[C@@H](O)CS1 | 9 |
| 3m2u_ligand_4_111.mol2 | 3m2u | 0.434783 | -6.64 | C(C)CCCS | 6 |
| 4zun_ligand_4_33.mol2 | 4zun | 0.434783 | -6.46 | C(S)CCCC | 6 |
| 2fj0_ligand_5_196.mol2 | 2fj0 | 0.434783 | -6.45 | CCCCCS | 6 |
| 1jq3_ligand_5_367.mol2 | 1jq3 | 0.434783 | -6.29 | C(CCCS)C | 6 |
| 4b0c_ligand_4_0.mol2 | 4b0c | 0.434783 | -6.13 | SCCCCC | 6 |
| 3m8u_ligand_5_5422.mol2 | 3m8u | 0.434783 | -5.84 | S(SCC)CC | 6 |
| 3gus_ligand_5_15.mol2 | 3gus | 0.434783 | -5.80 | C(CCCS)C | 6 |
119 ,
12
