Common name
but-1-yne
IUPAC name
but-1-yne
SMILES
C(C)C#C
Common name
but-1-yne
IUPAC name
but-1-yne
SMILES
C(C)C#C
INCHI
InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3
FORMULA
C4H6
Common name
but-1-yne
IUPAC name
but-1-yne
Molecular weight
54.090
clogP
0.722
clogS
-0.560
Frequency
0.0021
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00347 | Methohexital |
|
Hypnotics and Sedatives; Anesthetics, Intravenous; Anesthetics; Barbiturates; Nervous System; Psycholeptics; Anesthetics, General; Barbiturates, Plain; | Methohexital is indicated for use as an intravenous anaesthetic. It has also been commonly used to induce deep sedation. |
| FDBD01500 | Pralatrexate |
|
Antineoplastic Agents; Immunosuppressive Agents; Antimetabolites; Antineoplastic and Immunomodulating Agents; Folic Acid Analogues; | Treatment of relapsed or refractory peripheral T-cell lymphoma. |
| FDBD02421 | prynachlor |
|
Herbicide | Herbicide |
| FDBD02488 | chlorbufam |
|
Herbicide | Herbicide |
| FDBD02516 | flumipropyn |
|
Herbicide | Herbicide |
| FDBD02778 | buturon |
|
Herbicide | Herbicide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tlr_ligand_1_3.mol2 | 4tlr | 1 | -6.09 | C#CC(C)(C)C | 6 |
| 4eo8_ligand_1_1.mol2 | 4eo8 | 1 | -6.04 | C#CC(C)(C)C | 6 |
| 4eo6_ligand_1_3.mol2 | 4eo6 | 1 | -6.03 | C(C)(C)(C)C#C | 6 |
| 5ael_ligand_2_7.mol2 | 5ael | 1 | -5.75 | CCC#C | 4 |
| 4dq2_ligand_2_39.mol2 | 4dq2 | 1 | -5.69 | CCC#C | 4 |
| 3h0a_ligand_1_3.mol2 | 3h0a | 1 | -5.68 | C#CCC | 4 |
102 ,
11
