Common name
2-hydroxyethyl formate
IUPAC name
2-hydroxyethyl formate
SMILES
OCCOC=O
Common name
2-hydroxyethyl formate
IUPAC name
2-hydroxyethyl formate
SMILES
OCCOC=O
INCHI
InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2
FORMULA
C3H6O3
Common name
2-hydroxyethyl formate
IUPAC name
2-hydroxyethyl formate
Molecular weight
90.078
clogP
-0.329
clogS
0.294
Frequency
0.0017
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
46.53
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00443 | Valaciclovir |
|
Antiviral Agents; Prodrugs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | For the treatment or suppression of cold sores (herpes labialis), herpes zoster (shingles), genital herpes in immunocompetent individuals, and recurrent genital herpes in HIV-infected individuals. |
| FDBD01260 | Valganciclovir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | Valganciclovir is an antiviral medication used for the treatment of cytomegalovirus infections. |
| FDBD01524 | Bopindolol |
|
Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation. |
| FDBD01603 | Floctafenine |
|
Analgesics; Nervous System; | |
| FDBD01608 | Etofenamate |
|
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6e_ligand_2_49.mol2 | 1p6e | 1 | -5.34 | C(O)COC=O | 6 |
| 3e3c_ligand_1_3.mol2 | 3e3c | 1 | -5.22 | C(O)COC=O | 6 |
| 4tnw_ligand_2_30.mol2 | 4tnw | 1 | -5.17 | OCCOC=O | 6 |
| 4tnw_ligand_1_5.mol2 | 4tnw | 1 | -5.16 | C(O)COC=O | 6 |
| 4wn5_ligand_1_8.mol2 | 4wn5 | 1 | -5.10 | O=COCCO | 6 |
| 2amt_ligand_2_42.mol2 | 2amt | 1 | -4.99 | OCCOC=O | 6 |
| 4jfm_ligand_2_15.mol2 | 4jfm | 1 | -4.96 | OCCOC=O | 6 |
| 4xpj_ligand_1_5.mol2 | 4xpj | 1 | -4.84 | C(O)COC=O | 6 |
120 ,
13
