Common name
prop-2-yn-1-ol
IUPAC name
prop-2-yn-1-ol
SMILES
OCC#C
Common name
prop-2-yn-1-ol
IUPAC name
prop-2-yn-1-ol
SMILES
OCC#C
INCHI
InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
FORMULA
C3H4O
Common name
prop-2-yn-1-ol
IUPAC name
prop-2-yn-1-ol
Molecular weight
56.063
clogP
-0.133
clogS
0.395
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02605 | oxadiargyl |
|
Herbicide | Herbicide |
| FDBD02845 | azafenidin |
|
Herbicide | Herbicide |
| FDBD02911 | mandipropamid |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wxi_ligand_1_4.mol2 | 2wxi | 1 | -5.33 | C#CCO | 4 |
| 2a8h_ligand_2_12.mol2 | 2a8h | 1 | -5.28 | C(O)C#C | 4 |
| 3g42_ligand_2_11.mol2 | 3g42 | 1 | -5.28 | OCC#C | 4 |
| 4umt_ligand_2_11.mol2 | 4umt | 1 | -5.27 | OCC#C | 4 |
| 4dq2_ligand_2_35.mol2 | 4dq2 | 1 | -5.24 | C(C#C)O | 4 |
| 5a7b_ligand_2_8.mol2 | 5a7b | 1 | -5.23 | C(C#C)O | 4 |
| 4umu_ligand_2_15.mol2 | 4umu | 1 | -5.22 | OCC#C | 4 |
2388 ,
239
