Common name
pentanoic acid
IUPAC name
pentanoic acid
SMILES
CCCCC(=O)O
Common name
pentanoic acid
IUPAC name
pentanoic acid
SMILES
CCCCC(=O)O
INCHI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
FORMULA
C5H10O2
Common name
pentanoic acid
IUPAC name
pentanoic acid
Molecular weight
102.132
clogP
0.522
clogS
-0.780
Frequency
0.0079
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01962 | copper oleate |
|
Insecticide | Insecticide |
| FDBD02878 | pelargonic acid |
|
Herbicide | Herbicide |
| FDBD03258 | pentachlorophenyl laurate |
|
Fungicide | Fungicide |
23 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1q_ligand_3_0.mol2 | 2c1q | 1 | -6.73 | CCCCC(=O)O | 7 |
| 4qfo_ligand_2_20.mol2 | 4qfo | 1 | -6.72 | C(C(=O)O)CC(C)C | 8 |
| 2avi_ligand_3_0.mol2 | 2avi | 1 | -6.64 | C(=O)(O)CCCC | 7 |
| 4pox_ligand_2_12.mol2 | 4pox | 1 | -6.64 | C(C(=O)O)CCC | 7 |
| 4pow_ligand_3_3.mol2 | 4pow | 1 | -6.58 | C(C)CCC(=O)O | 7 |
| 2uyw_ligand_3_0.mol2 | 2uyw | 1 | -6.54 | CCCCC(=O)O | 7 |
| 4bj8_ligand_3_0.mol2 | 4bj8 | 1 | -6.54 | C(=O)(O)CCCC | 7 |
255 ,
26
