Common name
cyclobutane
IUPAC name
cyclobutane
SMILES
C1CCC1
Common name
cyclobutane
IUPAC name
cyclobutane
SMILES
C1CCC1
INCHI
InChI=1S/C4H8/c1-2-4-3-1/h1-4H2
FORMULA
C4H8
Common name
cyclobutane
IUPAC name
cyclobutane
Molecular weight
56.106
clogP
2.177
clogS
-0.801
Frequency
0.0017
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00452 | Cinalukast |
|
Anti-Arrhythmia Agents; | For Protection against second- phase inflamation in exercise-induced bronchoconstriction and Asthma. |
| FDBD00476 | Butorphanol |
|
Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Narcotic Antagonists; Cough and Cold Preparations; Respiratory System; Nervous System; Opioids; Opium Alkaloids and Derivatives; Morphinan Derivatives; | For the relief of moderate to severe pain. |
| FDBD00705 | Nalbuphine |
|
Analgesics; Analgesics, Opioid; Narcotics; Narcotic Antagonists; Nervous System; Opioids; Morphinan Derivatives; | For the relief of moderate to severe pain. |
| 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. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ig7_ligand_frag_0.mol2 | 3ig7 | 1 | -6.15 | C1CCC1 | 4 |
| 4yjn_ligand_frag_4.mol2 | 4yjn | 1 | -6.12 | C1CCC1 | 4 |
| 4p0n_ligand_frag_2.mol2 | 4p0n | 1 | -6.11 | C1CCC1 | 4 |
| 4wpf_ligand_frag_4.mol2 | 4wpf | 1 | -6.05 | C1CCC1 | 4 |
| 4wnp_ligand_frag_0.mol2 | 4wnp | 1 | -6.04 | C1CCC1 | 4 |
| 2oc0_ligand_frag_8.mol2 | 2oc0 | 1 | -6.00 | C1CCC1 | 4 |
| 1tu6_ligand_frag_6.mol2 | 1tu6 | 1 | -5.98 | C1CCC1 | 4 |
| 2oc7_ligand_frag_8.mol2 | 2oc7 | 1 | -5.97 | C1CCC1 | 4 |
| 4tn4_ligand_frag_3.mol2 | 4tn4 | 1 | -5.63 | C1CCC1 | 4 |
2411 ,
242
