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 |
|---|---|---|---|---|---|
| 1h07_ligand_1_2.mol2 | 1h07 | 0.84375 | -6.49 | Nc1c(cc(cc1)C)Br | 9 |
| 1t46_ligand_1_2.mol2 | 1t46 | 0.612903 | -7.01 | c1(c(cccc1)C)N | 8 |
| 3gp0_ligand_1_4.mol2 | 3gp0 | 0.612903 | -6.96 | c1ccc(c(c1)N)C | 8 |
| 2hyy_ligand_1_2.mol2 | 2hyy | 0.612903 | -6.95 | Nc1c(cccc1)C | 8 |
| 3gvu_ligand_1_2.mol2 | 3gvu | 0.612903 | -6.95 | c1(c(cccc1)C)N | 8 |
| 2pl0_ligand_1_2.mol2 | 2pl0 | 0.612903 | -6.94 | Nc1c(cccc1)C | 8 |
| 4bkj_ligand_1_2.mol2 | 4bkj | 0.612903 | -6.93 | c1(c(cccc1)C)N | 8 |
| 1iep_ligand_1_2.mol2 | 1iep | 0.612903 | -6.92 | c1(c(cccc1)C)N | 8 |
| 2e2b_ligand_1_7.mol2 | 2e2b | 0.612903 | -6.92 | Nc1ccccc1C | 8 |
105 ,
11
