Common name
4-methoxy-N-methyl-aniline
IUPAC name
4-methoxy-N-methyl-aniline
SMILES
CNc1ccc(cc1)OC
Common name
4-methoxy-N-methyl-aniline
IUPAC name
4-methoxy-N-methyl-aniline
SMILES
CNc1ccc(cc1)OC
INCHI
InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3
FORMULA
C8H11NO
Common name
4-methoxy-N-methyl-aniline
IUPAC name
4-methoxy-N-methyl-aniline
Molecular weight
137.179
clogP
1.501
clogS
-2.328
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
21.26
Number of Rings
1
Rotatable Bond
2
| 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_4_10.mol2 | 3fui | 1 | -7.01 | COc1ccc(cc1)NC | 10 |
| 1bzf_ligand_3_11.mol2 | 1bzf | 1 | -5.82 | O(C)c1ccc(cc1)NC | 10 |
| 2f1g_ligand_3_119.mol2 | 2f1g | 1 | -5.75 | CNc1ccc(cc1)OC | 10 |
| 2f1g_ligand_4_209.mol2 | 2f1g | 0.861111 | -5.94 | N(c1ccc(cc1)OC)CC | 11 |
| 3chs_ligand_3_46.mol2 | 3chs | 0.837838 | -7.05 | O=CNc1ccc(OC)cc1 | 11 |
| 3chp_ligand_3_3.mol2 | 3chp | 0.837838 | -6.99 | O(C)c1ccc(NC=O)cc1 | 11 |
| 3chr_ligand_3_31.mol2 | 3chr | 0.837838 | -6.98 | C(=O)Nc1ccc(cc1)OC | 11 |
| 3cho_ligand_3_6.mol2 | 3cho | 0.837838 | -6.95 | N(C=O)c1ccc(cc1)OC | 11 |
| 3chq_ligand_3_15.mol2 | 3chq | 0.837838 | -6.94 | N(C=O)c1ccc(cc1)OC | 11 |
131 ,
14
