Common name
propionic acid
IUPAC name
propionic acid
SMILES
CCC(=O)O
Common name
propionic acid
IUPAC name
propionic acid
SMILES
CCC(=O)O
INCHI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
FORMULA
C3H6O2
Common name
propionic acid
IUPAC name
propionic acid
Molecular weight
74.079
clogP
-0.220
clogS
0.088
Frequency
0.0395
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02630 | 2,4,5-TB |
|
Herbicide | Herbicide |
| FDBD02631 | cloprop |
|
Herbicide | Herbicide |
| FDBD02632 | 4-CPP |
|
Herbicide | Herbicide |
| FDBD02633 | dichlorprop |
|
Herbicide | Herbicide |
| FDBD02634 | dichlorprop-P |
|
Herbicide | Herbicide |
| FDBD02635 | 3,4-DP |
|
Herbicide | Herbicide |
| FDBD02636 | fenoprop |
|
Herbicide | Herbicide |
| FDBD02637 | mecoprop |
|
Herbicide | Herbicide |
| FDBD02638 | mecoprop-P |
|
Herbicide | Herbicide |
| FDBD02639 | chlorazifop |
|
Herbicide | Herbicide |
115 ,
12
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v77_ligand_2_5.mol2 | 2v77 | 1 | -6.37 | C(C(=O)O)(C)C | 6 |
| 4euo_ligand_1_1.mol2 | 4euo | 1 | -6.32 | CCC(=O)O | 5 |
| 4nwc_ligand_2_3.mol2 | 4nwc | 1 | -6.30 | CC(C(=O)O)C | 6 |
| 3bhx_ligand_2_12.mol2 | 3bhx | 1 | -6.29 | CC(C(=O)O)C | 6 |
| 2c6c_ligand_2_5.mol2 | 2c6c | 1 | -6.27 | CC(C(=O)O)C | 6 |
| 3bi0_ligand_2_17.mol2 | 3bi0 | 1 | -6.27 | CC(C)C(=O)O | 6 |
| 3bi1_ligand_2_60.mol2 | 3bi1 | 1 | -6.26 | CC(C(=O)O)C | 6 |
| 3ip9_ligand_1_1.mol2 | 3ip9 | 1 | -6.25 | CCC(=O)O | 5 |
1188 ,
119
