Common name
3-hydroxypropanoic acid
IUPAC name
3-hydroxypropanoic acid
SMILES
C(O)CC(=O)O
Common name
3-hydroxypropanoic acid
IUPAC name
3-hydroxypropanoic acid
SMILES
C(O)CC(=O)O
INCHI
InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
FORMULA
C3H6O3
Common name
3-hydroxypropanoic acid
IUPAC name
3-hydroxypropanoic acid
Molecular weight
90.078
clogP
-0.632
clogS
0.609
Frequency
0.0038
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02348 | thuringiensin |
|
Insecticide | Insecticide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cda_ligand_1_8.mol2 | 3cda | 1 | -5.89 | C(O)CC(=O)O | 6 |
| 2q6b_ligand_1_7.mol2 | 2q6b | 1 | -5.88 | C(C(=O)O)CO | 6 |
| 3cd5_ligand_1_8.mol2 | 3cd5 | 1 | -5.88 | C(C(=O)O)CO | 6 |
| 3cct_ligand_1_7.mol2 | 3cct | 1 | -5.87 | C(O)CC(=O)O | 6 |
| 3ccw_ligand_1_9.mol2 | 3ccw | 1 | -5.87 | C(O)CC(=O)O | 6 |
| 3cd0_ligand_1_9.mol2 | 3cd0 | 1 | -5.87 | C(C(=O)O)CO | 6 |
| 3cdb_ligand_1_11.mol2 | 3cdb | 1 | -5.87 | C(C(=O)O)CO | 6 |
| 2q1l_ligand_1_7.mol2 | 2q1l | 1 | -5.86 | C(C(=O)O)CO | 6 |
| 2q6c_ligand_1_8.mol2 | 2q6c | 1 | -5.86 | C(O)CC(=O)O | 6 |
| 2r4f_ligand_1_9.mol2 | 2r4f | 1 | -5.86 | C(C(=O)O)CO | 6 |
1253 ,
126
