Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
Common name
acetic acid
IUPAC name
acetic acid
SMILES
CC(=O)O
INCHI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
FORMULA
C2H4O2
Common name
acetic acid
IUPAC name
acetic acid
Molecular weight
60.052
clogP
-0.484
clogS
0.534
Frequency
0.0687
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02545 | fluoroglycofen |
|
Herbicide | Herbicide |
| FDBD02600 | glyphosate |
|
Herbicide | Herbicide |
| FDBD02620 | 4-CPA |
|
Herbicide | Herbicide |
| FDBD02621 | 2,4-D |
|
Herbicide | Herbicide |
| FDBD02622 | 3,4-DA |
|
Herbicide | Herbicide |
| FDBD02623 | MCPA |
|
Herbicide | Herbicide |
| FDBD02625 | 2,4,5-T |
|
Herbicide | Herbicide |
| FDBD02626 | 4-CPB |
|
Herbicide | Herbicide |
| FDBD02627 | 2,4-DB |
|
Herbicide | Herbicide |
| FDBD02628 | 3,4-DB |
|
Herbicide | Herbicide |
200 ,
21
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ps1_ligand_frag_15.mol2 | 4ps1 | 1 | -5.96 | CC(=O)O | 4 |
| 1hyo_ligand_frag_0.mol2 | 1hyo | 1 | -5.95 | O=C(O)C | 4 |
| 2c1q_ligand_frag_0.mol2 | 2c1q | 1 | -5.95 | C(=O)(O)C | 4 |
| 2qbr_ligand_frag_3.mol2 | 2qbr | 1 | -5.95 | CC(=O)O | 4 |
| 2v25_ligand_frag_1.mol2 | 2v25 | 1 | -5.95 | CC(=O)O | 4 |
| 3gjt_ligand_frag_12.mol2 | 3gjt | 1 | -5.94 | CC(=O)O | 4 |
| 1f1j_ligand_frag_13.mol2 | 1f1j | 1 | -5.93 | CC(=O)O | 4 |
| 2h4k_ligand_frag_3.mol2 | 2h4k | 1 | -5.93 | CC(=O)O | 4 |
| 2qbp_ligand_frag_3.mol2 | 2qbp | 1 | -5.93 | CC(=O)O | 4 |
| 2ql9_ligand_frag_14.mol2 | 2ql9 | 1 | -5.93 | CC(=O)O | 4 |
1717 ,
172
