Common name
3,4,5-trimethoxyaniline
IUPAC name
3,4,5-trimethoxyaniline
SMILES
c1(cc(c(c(c1)OC)OC)OC)N
Common name
3,4,5-trimethoxyaniline
IUPAC name
3,4,5-trimethoxyaniline
SMILES
c1(cc(c(c(c1)OC)OC)OC)N
INCHI
InChI=1S/C9H13NO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,10H2,1-3H3
FORMULA
C9H13NO3
Common name
3,4,5-trimethoxyaniline
IUPAC name
3,4,5-trimethoxyaniline
Molecular weight
183.204
clogP
1.118
clogS
-2.119
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
53.71
Number of Rings
1
Rotatable Bond
3
| 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_4_19.mol2 | 4o78 | 1 | -6.21 | O(C)c1cc(cc(OC)c1OC)N | 13 |
| 3eoc_ligand_4_11.mol2 | 3eoc | 1 | -6.17 | O(C)c1c(OC)c(OC)cc(c1)N | 13 |
| 2wot_ligand_4_14.mol2 | 2wot | 1 | -6.01 | COc1cc(cc(c1OC)OC)N | 13 |
| 4c7t_ligand_4_0.mol2 | 4c7t | 1 | -6.01 | Nc1cc(OC)c(OC)c(OC)c1 | 13 |
| 3g6h_ligand_4_0.mol2 | 3g6h | 1 | -6.00 | Nc1cc(OC)c(c(c1)OC)OC | 13 |
| 4nw6_ligand_4_0.mol2 | 4nw6 | 1 | -5.99 | Nc1cc(c(c(c1)OC)OC)OC | 13 |
| 4o75_ligand_4_209.mol2 | 4o75 | 1 | -5.97 | O(C)c1c(OC)cc(cc1OC)N | 13 |
| 4nw5_ligand_4_34.mol2 | 4nw5 | 1 | -5.95 | Nc1cc(c(OC)c(OC)c1)OC | 13 |
| 3bym_ligand_4_55.mol2 | 3bym | 1 | -5.94 | O(C)c1cc(N)cc(OC)c1OC | 13 |
| 2ofu_ligand_5_1471.mol2 | 2ofu | 1 | -5.93 | O(C)c1c(c(cc(c1)N)OC)OC | 13 |
152 ,
16
