Common name
propyl formate
IUPAC name
propyl formate
SMILES
O(C=O)CCC
Common name
propyl formate
IUPAC name
propyl formate
SMILES
O(C=O)CCC
INCHI
InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
FORMULA
C4H8O2
Common name
propyl formate
IUPAC name
propyl formate
Molecular weight
88.105
clogP
0.436
clogS
-0.664
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 |
|---|---|---|---|---|
| FDBD00512 | Dextropropoxyphene |
|
Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Opioids; Diphenylpropylamine Derivatives; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the relief of mild to moderate pain. |
| FDBD01398 | Hexaminolevulinate |
|
; | Hexaminolevulinate is indicated for use in the cystoscopic detection of non-muscle invasive papillary cancer of the bladder among patients suspected or known to have lesion(s) on the basis of a prior cystoscopy. |
| FDBD01488 | Levopropoxyphene |
|
; | |
| FDBD02691 | pyribambenz-propyl |
|
Herbicide | Herbicide |
| FDBD02923 | pefurazoate |
|
Fungicide | Fungicide |
| FDBD03261 | piperalin |
|
Fungicide | Fungicide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_2_69.mol2 | 1p6d | 1 | -5.78 | C(OC=O)CC | 6 |
| 2qnz_ligand_2_27.mol2 | 2qnz | 1 | -5.63 | C(C)COC=O | 6 |
| 4drk_ligand_2_27.mol2 | 4drk | 1 | -5.22 | CCCOC=O | 6 |
| 4tw7_ligand_2_70.mol2 | 4tw7 | 1 | -5.17 | C(C)COC=O | 6 |
| 4tw8_ligand_2_87.mol2 | 4tw8 | 1 | -5.16 | C(COC=O)C | 6 |
| 4k42_ligand_1_5.mol2 | 4k42 | 1 | -5.07 | C(OC=O)CC | 6 |
| 4k42_ligand_2_42.mol2 | 4k42 | 1 | -4.85 | CCCOC=O | 6 |
| 1p6d_ligand_3_344.mol2 | 1p6d | 0.928571 | -6.11 | [C@H](OC=O)(CC)C | 7 |
116 ,
12
