Common name
phenol
IUPAC name
phenol
SMILES
c1ccc(cc1)O
Common name
phenol
IUPAC name
phenol
SMILES
c1ccc(cc1)O
INCHI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
FORMULA
C6H6O
Common name
phenol
IUPAC name
phenol
Molecular weight
94.111
clogP
1.498
clogS
-0.975
Frequency
0.0897
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 |
|---|---|---|---|---|
| FDBD02286 | phenothrin |
|
Insecticide | Insecticide |
| FDBD02300 | tralocythrin |
|
Insecticide | Insecticide |
| FDBD02301 | tralomethrin |
|
Insecticide | Insecticide |
| FDBD02303 | valerate |
|
Insecticide | Insecticide |
| FDBD02304 | etofenprox |
|
Insecticide | Insecticide |
| FDBD02305 | flufenprox |
|
Insecticide | Insecticide |
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
| FDBD02307 | protrifenbute |
|
Insecticide | Insecticide |
| FDBD02308 | silafluofen |
|
Insecticide | Insecticide |
| FDBD02309 | sulfoxime |
|
Insecticide | Insecticide |
261 ,
27
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5aux_ligand_frag_1.mol2 | 5aux | 1 | -6.78 | c1ccc(cc1)O | 7 |
| 1tjp_ligand_frag_0.mol2 | 1tjp | 1 | -6.77 | c1ccccc1O | 7 |
| 2i0j_ligand_frag_1.mol2 | 2i0j | 1 | -6.77 | c1cccc(c1)O | 7 |
| 2qe4_ligand_frag_1.mol2 | 2qe4 | 1 | -6.77 | c1ccc(cc1)O | 7 |
| 3erd_ligand_frag_3.mol2 | 3erd | 1 | -6.77 | c1ccc(cc1)O | 7 |
| 3hfz_ligand_frag_2.mol2 | 3hfz | 1 | -6.77 | c1cccc(c1)O | 7 |
| 2iog_ligand_frag_0.mol2 | 2iog | 1 | -6.76 | c1ccc(cc1)O | 7 |
| 2x7d_ligand_frag_0.mol2 | 2x7d | 1 | -6.76 | c1(ccccc1)O | 7 |
| 3fh5_ligand_1_2.mol2 | 3fh5 | 1 | -6.76 | c1ccc(cc1)O | 7 |
1122 ,
113
