Common name
prop-1-yne
IUPAC name
prop-1-yne
SMILES
C#CC
Common name
prop-1-yne
IUPAC name
prop-1-yne
SMILES
C#CC
INCHI
InChI=1S/C3H4/c1-3-2/h1H,2H3
FORMULA
C3H4
Common name
prop-1-yne
IUPAC name
prop-1-yne
Molecular weight
40.064
clogP
0.279
clogS
-0.097
Frequency
0.0082
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 |
|---|---|---|---|---|
| FDBD02845 | azafenidin |
|
Herbicide | Herbicide |
| FDBD02888 | thidiazimin |
|
Herbicide | Herbicide |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
| FDBD03205 | mepanipyrim |
|
Fungicide | Fungicide |
24 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2a8h_ligand_1_4.mol2 | 2a8h | 1 | -5.51 | CC#C | 3 |
| 2i47_ligand_frag_8.mol2 | 2i47 | 1 | -5.51 | C#CC | 3 |
| 3g42_ligand_1_3.mol2 | 3g42 | 1 | -5.51 | CC#C | 3 |
| 1zxc_ligand_frag_0.mol2 | 1zxc | 1 | -5.50 | CC#C | 3 |
| 5ael_ligand_1_2.mol2 | 5ael | 1 | -5.50 | C(#C)C | 3 |
| 2pjt_ligand_frag_0.mol2 | 2pjt | 1 | -5.49 | CC#C | 3 |
| 3b92_ligand_frag_3.mol2 | 3b92 | 1 | -5.49 | C(#C)C | 3 |
| 3gz9_ligand_1_6.mol2 | 3gz9 | 1 | -5.47 | C(#C)C | 3 |
| 4b1c_ligand_frag_4.mol2 | 4b1c | 1 | -5.47 | C#CC | 3 |
| 4djy_ligand_frag_4.mol2 | 4djy | 1 | -5.47 | C#CC | 3 |
124 ,
13
