Common name
3,5-dibromophenol
IUPAC name
3,5-dibromophenol
SMILES
c1c(cc(cc1Br)O)Br
Common name
3,5-dibromophenol
IUPAC name
3,5-dibromophenol
SMILES
c1c(cc(cc1Br)O)Br
INCHI
InChI=1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
FORMULA
C6H4Br2O
Common name
3,5-dibromophenol
IUPAC name
3,5-dibromophenol
Molecular weight
251.903
clogP
2.741
clogS
-3.077
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02939 | thifluzamide |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gfd_ligand_1_1.mol2 | 4gfd | 0.913043 | -6.60 | c1cc(cc(c1)Br)O | 8 |
| 4ngt_ligand_1_3.mol2 | 4ngt | 0.913043 | -5.94 | Oc1cccc(c1)Br | 8 |
| 4ngr_ligand_1_8.mol2 | 4ngr | 0.913043 | -5.68 | c1(cc(Br)ccc1)O | 8 |
| 2j4a_ligand_1_3.mol2 | 2j4a | 0.875 | -7.10 | c1cc(c(c(c1)Br)O)Br | 9 |
| 1r6g_ligand_1_1.mol2 | 1r6g | 0.875 | -7.06 | c1cc(c(c(c1)Br)O)Br | 9 |
| 3n7s_ligand_frag_8.mol2 | 3n7s | 0.875 | -6.73 | c1cc(Br)c(c(Br)c1)O | 9 |
| 1t49_ligand_frag_0.mol2 | 1t49 | 0.875 | -6.45 | Brc1c(c(Br)ccc1)O | 9 |
186 ,
19
