Common name
2,4-dibromo-6-methyl-aniline
IUPAC name
2,4-dibromo-6-methyl-aniline
SMILES
Nc1c(cc(cc1C)Br)Br
Common name
2,4-dibromo-6-methyl-aniline
IUPAC name
2,4-dibromo-6-methyl-aniline
SMILES
Nc1c(cc(cc1C)Br)Br
INCHI
InChI=1S/C7H7Br2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
FORMULA
C7H7Br2N
Common name
2,4-dibromo-6-methyl-aniline
IUPAC name
2,4-dibromo-6-methyl-aniline
Molecular weight
264.945
clogP
2.922
clogS
-3.829
Frequency
0.0003
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01630 | Bromhexine |
|
Expectorants; Mucolytics; Cough and Cold Preparations; Respiratory System; |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g6h_ligand_1_7.mol2 | 3g6h | 0.612903 | -6.79 | Nc1ccccc1C | 8 |
| 2osc_ligand_1_1.mol2 | 2osc | 0.612903 | -6.78 | Nc1ccccc1C | 8 |
| 2bak_ligand_1_2.mol2 | 2bak | 0.612903 | -6.77 | Nc1ccccc1C | 8 |
| 2oo8_ligand_1_7.mol2 | 2oo8 | 0.612903 | -6.75 | c1cc(c(cc1)C)N | 8 |
| 3be2_ligand_1_7.mol2 | 3be2 | 0.612903 | -6.71 | Nc1ccccc1C | 8 |
| 3g6g_ligand_1_8.mol2 | 3g6g | 0.612903 | -6.71 | Nc1ccccc1C | 8 |
| 3cj2_ligand_frag_0.mol2 | 3cj2 | 0.612903 | -6.58 | Brc1ccc(cc1)N | 8 |
105 ,
11
