Common name
ethylcyclobutane
IUPAC name
ethylcyclobutane
SMILES
C(C1CCC1)C
Common name
ethylcyclobutane
IUPAC name
ethylcyclobutane
SMILES
C(C1CCC1)C
INCHI
InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3
FORMULA
C6H12
Common name
ethylcyclobutane
IUPAC name
ethylcyclobutane
Molecular weight
84.159
clogP
2.201
clogS
-1.440
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00955 | Sibutramine |
|
Appetite Depressants; Antidepressive Agents; Stimulants; Alimentary Tract and Metabolism; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; CYP3A4 Inhibitors; | For the treatment of obesity. |
| FDBD01550 | Boceprevir |
|
Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Treatment of chronic hepatitis C genotype 1 in patients that have a compensated liver (as a result of liver diseases like cirrhosis) and are previously untreated or therapy with peginterferon alfa and ribavirin has failed. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oc0_ligand_2_40.mol2 | 2oc0 | 1 | -6.20 | C1(CCC1)CC | 6 |
| 2oc7_ligand_2_40.mol2 | 2oc7 | 1 | -6.17 | C1(CCC1)CC | 6 |
| 4hra_ligand_2_15.mol2 | 4hra | 1 | -5.71 | C1(CCC1)CC | 6 |
| 2yiu_ligand_5_407.mol2 | 2yiu | 0.833333 | -7.08 | CC[C@H](C)CC(C)C | 8 |
| 5d1r_ligand_4_140.mol2 | 5d1r | 0.833333 | -6.90 | C(C)CCCC | 6 |
| 2yiu_ligand_4_260.mol2 | 2yiu | 0.833333 | -6.83 | CC[C@H](C)CCC | 7 |
| 4m1j_ligand_5_736.mol2 | 4m1j | 0.833333 | -6.79 | CCCCCC | 6 |
736 ,
74
