Common name
N-methoxyethanamine
IUPAC name
N-methoxyethanamine
SMILES
CCNOC
Common name
N-methoxyethanamine
IUPAC name
N-methoxyethanamine
SMILES
CCNOC
INCHI
InChI=1S/C3H9NO/c1-3-4-5-2/h4H,3H2,1-2H3
FORMULA
C3H9NO
Common name
N-methoxyethanamine
IUPAC name
N-methoxyethanamine
Molecular weight
76.118
clogP
-0.041
clogS
-0.726
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
25.84
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. |
| FDBD00127 | Oxiconazole |
|
Antifungal Agents; Genito Urinary System and Sex Hormones; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Imidazole Derivatives; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; | For treatment of dermal fungal infection. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_3_104.mol2 | 4mm9 | 1 | -5.54 | CO[NH2+]CC | 5 |
| 4mm9_ligand_4_179.mol2 | 4mm9 | 0.714286 | -5.73 | CO[NH2+]CCC | 6 |
| 1d8e_ligand_3_161.mol2 | 1d8e | 0.666667 | -5.26 | CONC(=O)C | 6 |
| 4bdb_ligand_frag_0.mol2 | 4bdb | 0.6 | -5.50 | C([NH2+]O)C | 4 |
| 4mm9_ligand_2_31.mol2 | 4mm9 | 0.6 | -5.44 | O[NH2+]CC | 4 |
| 4mm9_ligand_2_39.mol2 | 4mm9 | 0.6 | -5.23 | CO[NH2+]C | 4 |
169 ,
17
