Common name
4-methoxyaniline
IUPAC name
4-methoxyaniline
SMILES
c1(ccc(cc1)OC)N
Common name
4-methoxyaniline
IUPAC name
4-methoxyaniline
SMILES
c1(ccc(cc1)OC)N
INCHI
InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
FORMULA
C7H9NO
Common name
4-methoxyaniline
IUPAC name
4-methoxyaniline
Molecular weight
123.152
clogP
1.125
clogS
-1.515
Frequency
0.0003
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 . |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fui_ligand_3_10.mol2 | 3fui | 1 | -6.82 | COc1ccc(cc1)N | 9 |
| 4o78_ligand_2_3.mol2 | 4o78 | 1 | -6.33 | O(C)c1ccc(cc1)N | 9 |
| 1h00_ligand_3_1.mol2 | 1h00 | 1 | -6.23 | COc1ccc(N)cc1 | 9 |
| 3eid_ligand_3_28.mol2 | 3eid | 1 | -6.22 | O(C)c1ccc(N)cc1 | 9 |
| 3eoc_ligand_2_11.mol2 | 3eoc | 1 | -6.22 | O(C)c1ccc(cc1)N | 9 |
| 1h07_ligand_3_103.mol2 | 1h07 | 1 | -6.21 | Nc1ccc(OC)cc1 | 9 |
| 1h08_ligand_3_7.mol2 | 1h08 | 1 | -6.21 | Nc1ccc(OC)cc1 | 9 |
| 2iw6_ligand_3_100.mol2 | 2iw6 | 1 | -6.20 | c1cc(ccc1OC)N | 9 |
148 ,
15
