Common name
2-methoxypropane
IUPAC name
2-methoxypropane
SMILES
C(C)(OC)C
Common name
2-methoxypropane
IUPAC name
2-methoxypropane
SMILES
C(C)(OC)C
INCHI
InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3
FORMULA
C4H10O
Common name
2-methoxypropane
IUPAC name
2-methoxypropane
Molecular weight
74.122
clogP
0.414
clogS
-0.696
Frequency
0.0031
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00187 | Tenofovir |
|
Antiviral Agents; Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | Tenofovir is indicated in combination with other antiretroviral agents for the treatment of HIV-1 infection in adults and pediatric patients 2 years of age and older. It is also indicated for the treatment of chronic hepatitis B in adults and pediatric patients 12 years of age and older. |
| FDBD00401 | Chlormerodrin |
|
Diagnostic Agents; Diuretics, Mercurial; | Previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool. |
| FDBD00477 | Bisoprolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For management of heart failure, angina pectoris, and mild to moderate hypertension and for secondary prevention of myocardial infarction (MI). |
| FDBD01728 | Technetium Tc-99m sestamibi |
|
Diagnostic Radiopharmaceuticals; Cardiovascular System; Technetium (99Mtc) Compounds; Radiopharmaceuticals; | |
| FDBD01795 | Tenofovir alafenamide |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in the treatment of HIV infection and chronic hepatitis B. |
| FDBD01813 | Mersalyl |
|
Enzyme Inhibitors; Diuretics; Cardiovascular System; Low-Ceiling Diuretics, Excl. Thiazides; Mercurial Diuretics; | |
| FDBD01989 | methoprene |
|
Insecticide | Insecticide |
| FDBD01991 | triprene |
|
Insecticide | Insecticide |
| FDBD02420 | propisochlor |
|
Herbicide | Herbicide |
9 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eqr_ligand_2_0.mol2 | 3eqr | 1 | -5.95 | C(C)(C)(OC)C | 6 |
| 1lv8_ligand_3_6.mol2 | 1lv8 | 1 | -5.78 | CC(OC)C | 5 |
| 1lvu_ligand_3_6.mol2 | 1lvu | 1 | -5.76 | COC(C)C | 5 |
| 3eqr_ligand_1_0.mol2 | 3eqr | 1 | -5.53 | C(C)(C)OC | 5 |
| 4uwg_ligand_2_9.mol2 | 4uwg | 1 | -5.53 | C(C)(C)OC | 5 |
| 4cp5_ligand_3_22.mol2 | 4cp5 | 1 | -5.49 | CC(C)OC | 5 |
| 1o9e_ligand_2_42.mol2 | 1o9e | 1 | -5.42 | COC(C)C | 5 |
| 3g76_ligand_2_34.mol2 | 3g76 | 1 | -5.31 | O(C)C(C)C | 5 |
| 4rhu_ligand_4_295.mol2 | 4rhu | 1 | -5.19 | COC(C)C | 5 |
| 2zu5_ligand_3_800.mol2 | 2zu5 | 0.857143 | -5.91 | CC(C)OC(C)(C)C | 8 |
196 ,
20
