Common name
N-methoxypropan-1-amine
IUPAC name
N-methoxypropan-1-amine
SMILES
CCCNOC
Common name
N-methoxypropan-1-amine
IUPAC name
N-methoxypropan-1-amine
SMILES
CCCNOC
INCHI
InChI=1S/C4H11NO/c1-3-4-5-6-2/h5H,3-4H2,1-2H3
FORMULA
C4H11NO
Common name
N-methoxypropan-1-amine
IUPAC name
N-methoxypropan-1-amine
Molecular weight
90.144
clogP
0.312
clogS
-1.162
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
25.84
Number of Rings
0
Rotatable Bond
3
| 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 |
|---|---|---|---|---|---|
| 4mm9_ligand_4_179.mol2 | 4mm9 | 1 | -5.73 | CO[NH2+]CCC | 6 |
| 4mm9_ligand_3_104.mol2 | 4mm9 | 0.714286 | -5.54 | CO[NH2+]CC | 5 |
| 4mm9_ligand_3_86.mol2 | 4mm9 | 0.642857 | -5.63 | O[NH2+]CCC | 5 |
| 4k9g_ligand_frag_1.mol2 | 4k9g | 0.619048 | -5.75 | C1[NH2+]OCC1 | 5 |
| 3fnm_ligand_frag_1.mol2 | 3fnm | 0.619048 | -5.33 | C1O[NH2+]CC1 | 5 |
| 1sqc_ligand_3_0.mol2 | 1sqc | 0.529412 | -6.17 | [N+](O)(C)(C)CCC | 7 |
| 4mm9_ligand_4_141.mol2 | 4mm9 | 0.529412 | -5.79 | O[NH2+]CCCC | 6 |
101 ,
11
