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 |
|---|---|---|---|---|---|
| 3gs7_ligand_3_6.mol2 | 3gs7 | 0.857143 | -6.67 | CO/N=C\c1ccccc1 | 10 |
| 3gs7_ligand_2_4.mol2 | 3gs7 | 0.685714 | -6.66 | c1ccccc1/C=N\O | 9 |
| 1yt9_ligand_1_13.mol2 | 1yt9 | 0.685714 | -6.56 | N(=C\c1ccccc1)/O | 9 |
| 2ycr_ligand_frag_4.mol2 | 2ycr | 0.657143 | -6.94 | c1ccc(cc1)C(=N)C | 9 |
| 2w7x_ligand_frag_1.mol2 | 2w7x | 0.657143 | -6.91 | c1ccc(cc1)C(=N)C | 9 |
| 2xk9_ligand_frag_1.mol2 | 2xk9 | 0.657143 | -6.88 | c1ccc(cc1)C(=N)C | 9 |
| 4bdb_ligand.mol2 | 4bdb | 0.612245 | -7.10 | O/N=C(\C)/c1c(O)cc(O)cc1 | 13 |
| 2ooz_ligand.mol2 | 2ooz | 0.595238 | -7.36 | Oc1ccc(cc1)/C=N/O | 11 |
| 3gs7_ligand_4_0.mol2 | 3gs7 | 0.576923 | -6.65 | CO/N=C\c1c(OC)cccc1 | 12 |
| 2ycq_ligand_1_1.mol2 | 2ycq | 0.575 | -7.14 | N/N=C(/c1ccccc1)\C | 10 |
1136 ,
114
