Common name
but-2-yne
IUPAC name
but-2-yne
SMILES
CC#CC
Common name
but-2-yne
IUPAC name
but-2-yne
SMILES
CC#CC
INCHI
InChI=1S/C4H6/c1-3-4-2/h1-2H3
FORMULA
C4H6
Common name
but-2-yne
IUPAC name
but-2-yne
Molecular weight
54.090
clogP
0.567
clogS
-0.542
Frequency
0.0007
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00938 | Iloprost |
|
Platelet Aggregation Inhibitors; Vasodilator Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | Used for the treatment of pulmonary arterial hypertension. |
| FDBD01554 | Linagliptin |
|
Hypoglycemic Agents; Dipeptidyl-Peptidase IV Inhibitors; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Incretins; CYP3A4 Inhibitors; | Linagliptin is used for the management of type 2 diabetes mellitus. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i47_ligand_1_7.mol2 | 2i47 | 1 | -6.01 | CC#CC | 4 |
| 1zxc_ligand_1_0.mol2 | 1zxc | 1 | -5.98 | CC#CC | 4 |
| 3b92_ligand_1_2.mol2 | 3b92 | 1 | -5.98 | CC#CC | 4 |
| 2pjt_ligand_1_0.mol2 | 2pjt | 1 | -5.96 | CC#CC | 4 |
| 2rgu_ligand_1_2.mol2 | 2rgu | 1 | -5.81 | CC#CC | 4 |
| 2oi0_ligand_1_2.mol2 | 2oi0 | 1 | -5.79 | CC#CC | 4 |
| 5aml_ligand_1_2.mol2 | 5aml | 1 | -5.49 | CC#CC | 4 |
| 1hy7_ligand_2_7.mol2 | 1hy7 | 1 | -5.30 | CC#CC | 4 |
104 ,
11
