Common name
methyl formate
IUPAC name
methyl formate
SMILES
O(C=O)C
Common name
methyl formate
IUPAC name
methyl formate
SMILES
O(C=O)C
INCHI
InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
FORMULA
C2H4O2
Common name
methyl formate
IUPAC name
methyl formate
Molecular weight
60.052
clogP
-0.181
clogS
0.218
Frequency
0.0323
HBond Acceptor
2
HBond Donor
0
Total Polar
Surface Area
26.3
Number of Rings
0
Rotatable Bond
1
| 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. |
| FDBD00057 | Aspartame |
|
Sweetening Agents; Dietary Supplements; Micronutrients; Supplements; | Used as a diet supplement and sugar substitute. |
| FDBD00076 | Esmolol |
|
Adrenergic beta-1 Receptor Antagonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; | For the rapid control of ventricular rate in patients with atrial fibrillation or atrial flutter in perioperative, postoperative, or other emergent circumstances where short term control of ventricular rate with a short-acting agent is desirable. Also used in noncompensatory sinus tachycardia where the rapid heart rate requires specific intervention. |
| FDBD00090 | Succinylcholine |
|
Neuromuscular Depolarizing Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants; Choline Derivatives; Muscle Relaxants, Peripherally Acting Agents; | Used in surgical procedures where a rapid onset and brief duration of muscle relaxation is needed (includes intubation, endoscopies, and ECT). |
| FDBD00094 | Reserpine |
|
Antihypertensive Agents; Adrenergic Uptake Inhibitors; Antipsychotic Agents; Adrenergic Antagonists; Cardiovascular System; Rauwolfia Alkaloids; Antiadrenergic Agents, Centrally Acting; BSEP/ABCB11 Inhibitors; | Foe the treatment of hypertension. |
| FDBD00107 | Oxyphenonium |
|
Muscarinic Antagonists; Parasympatholytics; Mydriatics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Quaternary Ammonium Compounds; | For the treatment of visceral spasms. |
| FDBD00196 | Vindesine |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Phytogenic; Tubulin Modulators; Antineoplastic and Immunomodulating Agents; Vinca Alkaloids and Analogues; CYP3A4 Inhibitors; | For the treatment of acute leukaemia, malignant lymphoma, Hodgkin's disease, acute erythraemia and acute panmyelosis. |
| FDBD00245 | Vinorelbine |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Phytogenic; Antineoplastic and Immunomodulating Agents; Vinca Alkaloids and Analogues; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of non-small-cell lung carcinoma. |
| FDBD00264 | Oxyphencyclimine |
|
Cholinergic Antagonists; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; | For the treatment of peptic ulcer disease and the relief of smooth muscle spasms in gastrointestinal disorders. |
| FDBD00266 | Valrubicin |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; Anthracyclines and Related Substances; | For the treatment of cancer of the bladder. |
94 ,
10
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v16_ligand_frag_0.mol2 | 2v16 | 1 | -5.28 | COC=O | 4 |
| 1p6d_ligand_frag_5.mol2 | 1p6d | 1 | -5.27 | COC=O | 4 |
| 1p6e_ligand_frag_4.mol2 | 1p6e | 1 | -5.23 | COC=O | 4 |
| 1i7z_ligand_frag_0.mol2 | 1i7z | 1 | -5.18 | COC=O | 4 |
| 2pgz_ligand_frag_0.mol2 | 2pgz | 1 | -5.15 | COC=O | 4 |
| 4tnw_ligand_frag_3.mol2 | 4tnw | 1 | -5.15 | COC=O | 4 |
| 3e3c_ligand_frag_4.mol2 | 3e3c | 1 | -5.13 | COC=O | 4 |
| 3is9_ligand_frag_3.mol2 | 3is9 | 1 | -5.10 | O(C=O)C | 4 |
| 4g8o_ligand_frag_4.mol2 | 4g8o | 1 | -5.10 | COC=O | 4 |
| 4jfm_ligand_frag_5.mol2 | 4jfm | 1 | -5.09 | COC=O | 4 |
344 ,
35
