Common name
3,5-dimethoxyaniline
IUPAC name
3,5-dimethoxyaniline
SMILES
c1(cc(cc(c1)OC)OC)N
Common name
3,5-dimethoxyaniline
IUPAC name
3,5-dimethoxyaniline
SMILES
c1(cc(cc(c1)OC)OC)N
INCHI
InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3
FORMULA
C8H11NO2
Common name
3,5-dimethoxyaniline
IUPAC name
3,5-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 |
|---|---|---|---|---|---|
| 2wxo_ligand_3_0.mol2 | 2wxo | 1 | -6.53 | O(C)c1cc(N)cc(OC)c1 | 11 |
| 3eoc_ligand_3_14.mol2 | 3eoc | 1 | -6.23 | O(C)c1cc(OC)cc(c1)N | 11 |
| 4o78_ligand_3_14.mol2 | 4o78 | 1 | -6.21 | O(C)c1cc(cc(OC)c1)N | 11 |
| 2wot_ligand_3_4.mol2 | 2wot | 1 | -6.10 | COc1cc(cc(c1)OC)N | 11 |
| 4c7t_ligand_3_6.mol2 | 4c7t | 1 | -6.10 | Nc1cc(OC)cc(OC)c1 | 11 |
| 4nw6_ligand_3_4.mol2 | 4nw6 | 1 | -6.08 | Nc1cc(cc(c1)OC)OC | 11 |
| 3g6h_ligand_3_9.mol2 | 3g6h | 1 | -6.06 | Nc1cc(OC)cc(c1)OC | 11 |
| 4nw5_ligand_3_32.mol2 | 4nw5 | 1 | -6.05 | Nc1cc(cc(OC)c1)OC | 11 |
| 3bym_ligand_3_37.mol2 | 3bym | 1 | -6.04 | O(C)c1cc(N)cc(OC)c1 | 11 |
| 2ofu_ligand_3_172.mol2 | 2ofu | 1 | -6.03 | O(C)c1cc(cc(N)c1)OC | 11 |
100 ,
11
