Common name
N-propylhydroxylamine
IUPAC name
N-propylhydroxylamine
SMILES
CCCNO
Common name
N-propylhydroxylamine
IUPAC name
N-propylhydroxylamine
SMILES
CCCNO
INCHI
InChI=1S/C3H9NO/c1-2-3-4-5/h4-5H,2-3H2,1H3
FORMULA
C3H9NO
Common name
N-propylhydroxylamine
IUPAC name
N-propylhydroxylamine
Molecular weight
75.110
clogP
-1.149
clogS
-0.422
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00065 | Fluvoxamine |
|
Antidepressive Agents, Second-Generation; Anti-Anxiety Agents; Serotonin Uptake Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For management of depression and for Obsessive Compulsive Disorder (OCD). Has also been used in the management of bulimia nervosa. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v5x_ligand_2_90.mol2 | 2v5x | 0.642857 | -6.41 | C(C(=O)NO)C | 6 |
| 2j83_ligand_3_0.mol2 | 2j83 | 0.642857 | -6.40 | CC(C(=O)NO)C | 7 |
| 3m6r_ligand_2_0.mol2 | 3m6r | 0.642857 | -6.40 | C(C(=O)NO)C | 6 |
| 2vcg_ligand_2_44.mol2 | 2vcg | 0.642857 | -6.38 | C(=O)(NO)CC | 6 |
| 4dr9_ligand_2_0.mol2 | 4dr9 | 0.642857 | -6.38 | CCC(=O)NO | 6 |
| 3m6p_ligand_2_0.mol2 | 3m6p | 0.642857 | -6.37 | CCC(=O)NO | 6 |
100 ,
11
