Common name
1-methylsulfanylpropane
IUPAC name
1-methylsulfanylpropane
SMILES
CCCSC
Common name
1-methylsulfanylpropane
IUPAC name
1-methylsulfanylpropane
SMILES
CCCSC
INCHI
InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3
FORMULA
C4H10S
Common name
1-methylsulfanylpropane
IUPAC name
1-methylsulfanylpropane
Molecular weight
90.187
clogP
1.145
clogS
-1.477
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
25.3
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00344 | Montelukast |
|
Anti-Asthmatic Agents; Anti-Arrhythmia Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of asthma. |
| FDBD01247 | Cilastatin |
|
Protease Inhibitors; | Combined intravenously with imipenem in order to protect it from dehydropeptidase and prolong its antibacterial effect. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wko_ligand_4_35.mol2 | 4wko | 1 | -5.90 | CCCSC | 5 |
| 1jq3_ligand_4_206.mol2 | 1jq3 | 1 | -5.85 | CCCSC | 5 |
| 1b32_ligand_3_378.mol2 | 1b32 | 1 | -5.83 | CCCSC | 5 |
| 2fj0_ligand_4_195.mol2 | 2fj0 | 1 | -5.78 | CSCCC | 5 |
| 2j9h_ligand_4_680.mol2 | 2j9h | 1 | -5.67 | C(CSC)C | 5 |
| 2ql9_ligand_3_354.mol2 | 2ql9 | 1 | -5.67 | C(CSC)C | 5 |
| 2qlb_ligand_3_276.mol2 | 2qlb | 1 | -5.65 | C(CSC)C | 5 |
| 2x2r_ligand_3_16.mol2 | 2x2r | 1 | -5.62 | C(C)CSC | 5 |
| 1k4h_ligand_3_0.mol2 | 1k4h | 1 | -5.61 | C(CC)SC | 5 |
| 4c52_ligand_3_64.mol2 | 4c52 | 1 | -5.57 | C(C)(C)CSC | 6 |
266 ,
27
