Common name
1-nitroethylene
IUPAC name
1-nitroethylene
SMILES
O=N(=O)C=C
Common name
1-nitroethylene
IUPAC name
1-nitroethylene
SMILES
O=N(=O)C=C
INCHI
InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
FORMULA
C2H3NO2
Common name
1-nitroethylene
IUPAC name
1-nitroethylene
Molecular weight
73.051
clogP
-1.036
clogS
-0.049
Frequency
0.0010
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
34.14
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00450 | Nizatidine |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; H2 Antagonists; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, active benign gastric ulcer, and active duodenal ulcer. |
| FDBD00723 | Ranitidine |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; H2 Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of peptic ulcer disease (PUD), dyspepsia, stress ulcer prophylaxis, and gastroesophageal reflux disease (GERD). |
| FDBD02025 | nitenpyram |
|
Insecticide | Insecticide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fx6_ligand_frag_4.mol2 | 3fx6 | 0.571429 | -5.35 | CN(=O)=O | 4 |
| 1jq9_ligand_1_18.mol2 | 1jq9 | 0.428571 | -5.20 | C(=C)N | 3 |
| 4jdf_ligand_1_0.mol2 | 4jdf | 0.3 | -6.01 | N/C=C/C | 4 |
| 1jq3_ligand_2_54.mol2 | 1jq3 | 0.3 | -5.85 | C(=C\C)/N | 4 |
185 ,
19
