Common name
3,4-dimethoxyaniline
IUPAC name
3,4-dimethoxyaniline
SMILES
c1(cc(c(cc1)OC)OC)N
Common name
3,4-dimethoxyaniline
IUPAC name
3,4-dimethoxyaniline
SMILES
c1(cc(c(cc1)OC)OC)N
INCHI
InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3
FORMULA
C8H11NO2
Common name
3,4-dimethoxyaniline
IUPAC name
3,4-dimethoxyaniline
Molecular weight
153.178
clogP
1.094
clogS
-1.823
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
44.48
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 |
|---|---|---|---|---|---|
| 4o78_ligand_3_13.mol2 | 4o78 | 1 | -6.31 | O(C)c1cc(ccc1OC)N | 11 |
| 3eoc_ligand_3_12.mol2 | 3eoc | 1 | -6.23 | O(C)c1c(OC)ccc(c1)N | 11 |
| 4o78_ligand_3_12.mol2 | 4o78 | 1 | -6.23 | O(C)c1ccc(cc1OC)N | 11 |
| 3eoc_ligand_3_17.mol2 | 3eoc | 1 | -6.16 | O(C)c1c(OC)ccc(c1)N | 11 |
| 5c26_ligand_3_11.mol2 | 5c26 | 1 | -6.13 | Nc1cc(OC)c(OC)cc1 | 11 |
| 4c7t_ligand_3_21.mol2 | 4c7t | 1 | -6.09 | Nc1ccc(OC)c(OC)c1 | 11 |
| 2wot_ligand_3_35.mol2 | 2wot | 1 | -6.07 | O(C)c1ccc(cc1OC)N | 11 |
| 2wot_ligand_3_5.mol2 | 2wot | 1 | -6.07 | O(C)c1c(cc(cc1)N)OC | 11 |
| 3g6h_ligand_3_1.mol2 | 3g6h | 1 | -6.07 | Nc1cc(OC)c(cc1)OC | 11 |
| 4nw6_ligand_3_10.mol2 | 4nw6 | 1 | -6.06 | Nc1ccc(c(c1)OC)OC | 11 |
127 ,
13
