Common name
2-hydroxybenzonitrile
IUPAC name
2-hydroxybenzonitrile
SMILES
Oc1c(cccc1)C#N
Common name
2-hydroxybenzonitrile
IUPAC name
2-hydroxybenzonitrile
SMILES
Oc1c(cccc1)C#N
INCHI
InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
FORMULA
C7H5NO
Common name
2-hydroxybenzonitrile
IUPAC name
2-hydroxybenzonitrile
Molecular weight
119.121
clogP
1.342
clogS
-1.252
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
44.02
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01332 | Febuxostat |
|
Gout Suppressants; Antihyperuricemic Agents; Musculo-Skeletal System; Preparations Inhibiting Uric Acid Production; | For the treatment of hyperuricemia in patients with gout. |
| FDBD02977 | azoxystrobin |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ek0_ligand_1_5.mol2 | 5ek0 | 1 | -6.69 | c1(ccccc1C#N)O | 9 |
| 1sqb_ligand_1_0.mol2 | 1sqb | 1 | -6.40 | c1c(c(ccc1)O)C#N | 9 |
| 1mzc_ligand_1_3.mol2 | 1mzc | 1 | -5.71 | c1(c(cccc1)C#N)O | 9 |
| 3b65_ligand_1_3.mol2 | 3b65 | 0.857143 | -6.95 | Oc1ccc(cc1)C#N | 9 |
| 4og8_ligand_1_0.mol2 | 4og8 | 0.857143 | -6.46 | c1cc(ccc1O)C#N | 9 |
| 4og4_ligand_1_0.mol2 | 4og4 | 0.857143 | -6.44 | c1cc(ccc1O)C#N | 9 |
| 4og5_ligand_1_0.mol2 | 4og5 | 0.857143 | -6.44 | Oc1ccc(cc1)C#N | 9 |
| 4og6_ligand_1_6.mol2 | 4og6 | 0.857143 | -6.44 | Oc1ccc(cc1)C#N | 9 |
| 4og3_ligand_1_0.mol2 | 4og3 | 0.857143 | -6.43 | Oc1ccc(cc1)C#N | 9 |
| 4mt9_ligand_1_6.mol2 | 4mt9 | 0.857143 | -6.38 | Oc1ccc(cc1)C#N | 9 |
111 ,
12
