Common name
N-methoxy-1-phenyl-ethanimine
IUPAC name
N-methoxy-1-phenyl-ethanimine
SMILES
CC(=NOC)c1ccccc1
Common name
N-methoxy-1-phenyl-ethanimine
IUPAC name
N-methoxy-1-phenyl-ethanimine
SMILES
CC(=NOC)c1ccccc1
INCHI
InChI=1S/C9H11NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-7H,1-2H3/b10-8+
FORMULA
C9H11NO
Common name
N-methoxy-1-phenyl-ethanimine
IUPAC name
N-methoxy-1-phenyl-ethanimine
Molecular weight
149.190
clogP
2.334
clogS
-2.229
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
21.59
Number of Rings
1
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. |
| FDBD02989 | trifloxystrobin |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ohk_ligand_1_3.mol2 | 4ohk | 0.567568 | -6.75 | C[C@@H](O)c1ccccc1 | 9 |
| 2y58_ligand_2_5.mol2 | 2y58 | 0.567568 | -6.54 | C[C@H](O)c1ccccc1 | 9 |
| 4uwh_ligand_2_2.mol2 | 4uwh | 0.567568 | -6.39 | [C@@H](O)(c1ccccc1)C | 9 |
| 3eb1_ligand_2_0.mol2 | 3eb1 | 0.567568 | -6.36 | C[C@@H](O)c1ccccc1 | 9 |
| 2xnp_ligand_2_0.mol2 | 2xnp | 0.567568 | -6.31 | c1(ccccc1)[C@@H](C)O | 9 |
| 2xnm_ligand_2_0.mol2 | 2xnm | 0.567568 | -6.29 | O[C@H](C)c1ccccc1 | 9 |
| 4qj0_ligand_2_35.mol2 | 4qj0 | 0.567568 | -6.28 | c1(ccccc1)[C@H](O)C | 9 |
| 4qiz_ligand_2_35.mol2 | 4qiz | 0.567568 | -6.27 | [C@H](O)(c1ccccc1)C | 9 |
| 3gwv_ligand_3_16.mol2 | 3gwv | 0.567568 | -6.24 | [C@@H](O)(C)c1ccccc1 | 9 |
1136 ,
114
