Common name
3-methoxyaniline
IUPAC name
3-methoxyaniline
SMILES
c1(cccc(c1)OC)N
Common name
3-methoxyaniline
IUPAC name
3-methoxyaniline
SMILES
c1(cccc(c1)OC)N
INCHI
InChI=1S/C7H9NO/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
FORMULA
C7H9NO
Common name
3-methoxyaniline
IUPAC name
3-methoxyaniline
Molecular weight
123.152
clogP
1.125
clogS
-1.515
Frequency
0.0010
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
35.25
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01004 | Trimetrexate |
|
Antifungal Agents; Antiprotozoal Agents; Folic Acid Antagonists; Antimetabolites, Antineoplastic; Antibiotics; Antiparasitic Products, Insecticides and Repellents; | For use, with concurrent leucovorin administration (leucovorin protection), as an alternative therapy for the treatment of moderate-to-severe . |
| FDBD01405 | Amisulpride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; | Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression. |
| FDBD01816 | Propoxycaine |
|
Anesthetics, Local; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4p72_ligand_3_6.mol2 | 4p72 | 1 | -6.68 | O(c1cc(N)ccc1)C | 9 |
| 2wxo_ligand_2_1.mol2 | 2wxo | 1 | -6.62 | Nc1cc(OC)ccc1 | 9 |
| 2wxo_ligand_2_5.mol2 | 2wxo | 1 | -6.41 | O(C)c1cc(N)ccc1 | 9 |
| 3ezr_ligand_1_2.mol2 | 3ezr | 1 | -6.38 | c1cc(cc(c1)OC)N | 9 |
| 4o78_ligand_2_5.mol2 | 4o78 | 1 | -6.33 | O(C)c1cc(ccc1)N | 9 |
| 3eoc_ligand_2_8.mol2 | 3eoc | 1 | -6.30 | O(C)c1cccc(c1)N | 9 |
| 4o78_ligand_2_4.mol2 | 4o78 | 1 | -6.25 | O(C)c1cccc(c1)N | 9 |
| 3eoc_ligand_2_13.mol2 | 3eoc | 1 | -6.23 | O(C)c1cccc(c1)N | 9 |
| 4umq_ligand_3_58.mol2 | 4umq | 1 | -6.22 | COc1cccc(c1)N | 9 |
| 4c7t_ligand_2_13.mol2 | 4c7t | 1 | -6.19 | Nc1cccc(OC)c1 | 9 |
131 ,
14
