Common name
methyl butanoate
IUPAC name
methyl butanoate
SMILES
O(C(=O)CCC)C
Common name
methyl butanoate
IUPAC name
methyl butanoate
SMILES
O(C(=O)CCC)C
INCHI
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
FORMULA
C5H10O2
Common name
methyl butanoate
IUPAC name
methyl butanoate
Molecular weight
102.132
clogP
0.671
clogS
-1.078
Frequency
0.0021
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00035 | Phosphatidylserine |
|
Dietary Supplements; Micronutrients; Supplements; | Phosphatidylserine has demonstrated some usefulness in treating cognitive impairment, including Alzheimer's disease, age-associated memory impairment and some non-Alzheimer's dementias. More research is needed before phosphatidylserine can be indicated for immune enhancement or for reduction of exercise stress. |
| FDBD00785 | Misoprostol |
|
Indicated for the treatment of ulceration (duodenal, gastric and NSAID induced) and prophylaxis for NSAID induced ulceration. | |
| FDBD01348 | Clevidipine |
|
Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of hypertension. |
| FDBD01570 | Glycerol Phenylbutyrate |
|
Ammonia Detoxicants; Alimentary Tract and Metabolism; Various Alimentary Tract and Metabolism Products; | Glycerol phenylbutyrate is a nitrogen-binding agent for the chronic management of adult and pediatric patients |
| FDBD02195 | butonate |
|
Insecticide | Insecticide |
| FDBD02923 | pefurazoate |
|
Fungicide | Fungicide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3is9_ligand_3_83.mol2 | 3is9 | 1 | -6.01 | C(CC(=O)OC)C | 7 |
| 1hbv_ligand_1_11.mol2 | 1hbv | 1 | -5.97 | C(C)(C)CC(=O)OC | 8 |
| 1p6d_ligand_3_440.mol2 | 1p6d | 1 | -5.96 | CCCC(=O)OC | 7 |
| 3e3c_ligand_3_52.mol2 | 3e3c | 1 | -5.96 | C(C)CC(=O)OC | 7 |
| 4wn5_ligand_3_676.mol2 | 4wn5 | 1 | -5.96 | C(CC(=O)OC)C | 7 |
| 4tnw_ligand_3_216.mol2 | 4tnw | 1 | -5.93 | CCCC(=O)OC | 7 |
| 1ksn_ligand_2_12.mol2 | 1ksn | 1 | -5.74 | C(C)[C@@H](C)C(=O)OC | 8 |
| 1ezq_ligand_2_18.mol2 | 1ezq | 1 | -5.70 | C(C)[C@@H](C)C(=O)OC | 8 |
| 1i5r_ligand_3_156.mol2 | 1i5r | 1 | -5.69 | C(C)CC(=O)OC | 7 |
| 2k4i_ligand_2_85.mol2 | 2k4i | 1 | -5.63 | C(CC)C(=O)OC | 7 |
526 ,
53
