Common name
N-ethoxyhydroxylamine
IUPAC name
N-ethoxyhydroxylamine
SMILES
C(C)ONO
Common name
N-ethoxyhydroxylamine
IUPAC name
N-ethoxyhydroxylamine
SMILES
C(C)ONO
INCHI
InChI=1S/C2H7NO2/c1-2-5-3-4/h3-4H,2H2,1H3
FORMULA
C2H7NO2
Common name
N-ethoxyhydroxylamine
IUPAC name
N-ethoxyhydroxylamine
Molecular weight
77.082
clogP
-1.586
clogS
0.237
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total Polar
Surface Area
29.46
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01262 | Amyl Nitrite |
|
Vasodilator Agents; Antidotes; | For the rapid relief of angina pectoris. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2on3_ligand_2_2.mol2 | 2on3 | 0.666667 | -5.68 | CCO[NH3+] | 4 |
| 3dz5_ligand_2_0.mol2 | 3dz5 | 0.666667 | -5.55 | CCO[NH3+] | 4 |
| 1i72_ligand_2_0.mol2 | 1i72 | 0.666667 | -5.52 | C(O[NH3+])C | 4 |
| 3dz6_ligand_2_6.mol2 | 3dz6 | 0.666667 | -5.43 | C(C)O[NH3+] | 4 |
| 4czs_ligand_2_0.mol2 | 4czs | 0.666667 | -5.09 | C(C)O[NH3+] | 4 |
| 3dz6_ligand_3_10.mol2 | 3dz6 | 0.5 | -5.59 | CCCO[NH3+] | 5 |
| 3bel_ligand_3_81.mol2 | 3bel | 0.461538 | -5.13 | O([NH2+]C)CC | 5 |
| 4czs_ligand_3_3.mol2 | 4czs | 0.461538 | -5.03 | C(C)O[NH2+]C | 5 |
| 2hxm_ligand_3_10.mol2 | 2hxm | 0.461538 | -5.02 | CCON=C | 5 |
| 3fcf_ligand_3_10.mol2 | 3fcf | 0.461538 | -5.02 | CCON=C | 5 |
2293 ,
230
