Common name
but-1-en-3-yne
IUPAC name
but-1-en-3-yne
SMILES
C#CC=C
Common name
but-1-en-3-yne
IUPAC name
but-1-en-3-yne
SMILES
C#CC=C
INCHI
InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2
FORMULA
C4H4
Common name
but-1-en-3-yne
IUPAC name
but-1-en-3-yne
Molecular weight
52.075
clogP
0.713
clogS
-0.206
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00717 | Terbinafine |
|
Antifungal Agents; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; Antifungals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of dermatophyte infections of the toenail or fingernail caused by susceptible fungi. Also for the treatment of tinea capitis (scalp ringworm) and tinea corporis (body ringworm) or tinea cruris (jock itch). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_1_8.mol2 | 3dzt | 0.5 | -5.96 | C(=C)C | 3 |
| 2a2g_ligand_frag_1.mol2 | 2a2g | 0.5 | -5.91 | C(=C)C | 3 |
| 3dzt_ligand_1_9.mol2 | 3dzt | 0.5 | -5.91 | C=CC | 3 |
| 1o6h_ligand_1_0.mol2 | 1o6h | 0.5 | -5.89 | C=CC | 3 |
269 ,
27
