Common name
quinolin-8-ol
IUPAC name
quinolin-8-ol
SMILES
c1cc(c2c(c1)cccn2)O
Common name
quinolin-8-ol
IUPAC name
quinolin-8-ol
SMILES
c1cc(c2c(c1)cccn2)O
INCHI
InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
FORMULA
C9H7NO
Common name
quinolin-8-ol
IUPAC name
quinolin-8-ol
Molecular weight
145.158
clogP
2.012
clogS
-2.194
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
33.12
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03150 | 8-phenylmercurioxyquinoline |
|
Fungicide | Fungicide |
| FDBD03212 | 8-hydroxyquinoline sulfate |
|
Fungicide | Fungicide |
| FDBD03213 | quinacetol |
|
Fungicide | Fungicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dei_ligand_1_2.mol2 | 4dei | 0.942857 | -7.26 | c1cc2cc(cnc2cc1)O | 11 |
| 4xyf_ligand_1_2.mol2 | 4xyf | 0.942857 | -7.17 | Oc1cc2ccccc2nc1 | 11 |
| 3fur_ligand_1_3.mol2 | 3fur | 0.942857 | -6.60 | c1(cc2ccccc2nc1)O | 11 |
| 1xqc_ligand_frag_0.mol2 | 1xqc | 0.852941 | -7.29 | c1(ccc2c(c1)ccnc2)O | 11 |
| 1o6h_ligand_1_9.mol2 | 1o6h | 0.852941 | -6.95 | c1cc2c(ccc(c2)O)cn1 | 11 |
| 3a4p_ligand_1_1.mol2 | 3a4p | 0.828571 | -7.09 | c1cc2cc(ccc2nc1)O | 11 |
| 4wrb_ligand_1_2.mol2 | 4wrb | 0.828571 | -6.54 | Oc1cc2c(nccc2)cc1 | 11 |
228 ,
23
