Common name
N-propoxyhydroxylamine
IUPAC name
N-propoxyhydroxylamine
SMILES
C(CC)ONO
Common name
N-propoxyhydroxylamine
IUPAC name
N-propoxyhydroxylamine
SMILES
C(CC)ONO
INCHI
InChI=1S/C3H9NO2/c1-2-3-6-4-5/h4-5H,2-3H2,1H3
FORMULA
C3H9NO2
Common name
N-propoxyhydroxylamine
IUPAC name
N-propoxyhydroxylamine
Molecular weight
91.109
clogP
-1.412
clogS
-0.198
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
29.46
Number of Rings
0
Rotatable Bond
3
| 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 |
|---|---|---|---|---|---|
| 3dz6_ligand_3_10.mol2 | 3dz6 | 0.692308 | -5.59 | CCCO[NH3+] | 5 |
| 3dz6_ligand_4_4.mol2 | 3dz6 | 0.5625 | -5.78 | C(O[NH3+])CCC | 6 |
| 2on3_ligand.mol2 | 2on3 | 0.5 | -5.72 | [NH3+]CCCO[NH3+] | 7 |
| 2on3_ligand_2_2.mol2 | 2on3 | 0.461538 | -5.68 | CCO[NH3+] | 4 |
| 3dz5_ligand_2_0.mol2 | 3dz5 | 0.461538 | -5.55 | CCO[NH3+] | 4 |
| 1i72_ligand_2_0.mol2 | 1i72 | 0.461538 | -5.52 | C(O[NH3+])C | 4 |
| 3dz6_ligand_2_6.mol2 | 3dz6 | 0.461538 | -5.43 | C(C)O[NH3+] | 4 |
| 4czs_ligand_2_0.mol2 | 4czs | 0.461538 | -5.09 | C(C)O[NH3+] | 4 |
| 3cow_ligand_1_0.mol2 | 3cow | 0.384615 | -6.56 | C(C)(C)(C)CO | 6 |
| 4fhi_ligand_1_8.mol2 | 4fhi | 0.384615 | -6.55 | C(O)C(C)(C)C | 6 |
975 ,
98
