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 |
|---|---|---|---|---|
| FDBD02652 | propaquizafop |
|
Herbicide | Herbicide |
| FDBD02653 | quizalofop |
|
Herbicide | Herbicide |
| FDBD02654 | quizalofop-P |
|
Herbicide | Herbicide |
| FDBD02655 | trifop |
|
Herbicide | Herbicide |
| FDBD02690 | pyribambenz-isopropyl |
|
Herbicide | Herbicide |
| FDBD02691 | pyribambenz-propyl |
|
Herbicide | Herbicide |
| FDBD02709 | pyributicarb |
|
Herbicide | Herbicide |
| FDBD02764 | benzfendizone |
|
Herbicide | Herbicide |
| FDBD02782 | chloroxuron |
|
Herbicide | Herbicide |
| FDBD02784 | difenoxuron |
|
Herbicide | Herbicide |
261 ,
27
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nde_ligand_frag_8.mol2 | 1nde | 1 | -6.79 | c1ccc(cc1)O | 7 |
| 3chs_ligand_1_4.mol2 | 3chs | 1 | -6.79 | Oc1ccccc1 | 7 |
| 3di6_ligand_1_0.mol2 | 3di6 | 1 | -6.79 | c1cccc(c1)O | 7 |
| 3fhe_ligand_1_2.mol2 | 3fhe | 1 | -6.79 | c1ccc(cc1)O | 7 |
| 5auv_ligand_frag_0.mol2 | 5auv | 1 | -6.79 | c1cc(ccc1)O | 7 |
| 3ful_ligand_1_2.mol2 | 3ful | 1 | -6.78 | c1ccc(cc1)O | 7 |
| 3fum_ligand_1_0.mol2 | 3fum | 1 | -6.78 | c1cc(ccc1)O | 7 |
| 4oyb_ligand_1_2.mol2 | 4oyb | 1 | -6.78 | Oc1ccccc1 | 7 |
| 5aen_ligand_1_1.mol2 | 5aen | 1 | -6.78 | c1ccc(cc1)O | 7 |
1122 ,
113
