Common name
phenyl acetate
IUPAC name
phenyl acetate
SMILES
O(C(=O)C)c1ccccc1
Common name
phenyl acetate
IUPAC name
phenyl acetate
SMILES
O(C(=O)C)c1ccccc1
INCHI
InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
FORMULA
C8H8O2
Common name
phenyl acetate
IUPAC name
phenyl acetate
Molecular weight
136.148
clogP
1.693
clogS
-1.685
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00378 | Nitazoxanide |
|
Antiprotozoal Agents; Antiparasitic Agents; Antiparasitic Products, Insecticides and Repellents; | For the treatment of diarrhea in adults and children caused by the protozoa . |
| FDBD01631 | Bisacodyl |
|
Cathartics; Laxatives; Alimentary Tract and Metabolism; Drugs for Constipation; Enemas; Contact Laxatives; | Indicated for cleansing of the colon as a preparation for colonoscopy in adults. |
| FDBD01785 | Propacetamol |
|
Analgesics; Nervous System; Anilides; | For temporary relief of pain. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fhe_ligand_3_49.mol2 | 3fhe | 0.75 | -7.21 | C(C)Oc1ccccc1 | 9 |
| 5aen_ligand_3_12.mol2 | 5aen | 0.75 | -7.17 | CCOc1ccccc1 | 9 |
| 3fh8_ligand_3_10.mol2 | 3fh8 | 0.75 | -7.16 | O(CC)c1ccccc1 | 9 |
| 3fum_ligand_3_7.mol2 | 3fum | 0.75 | -7.14 | CCOc1ccccc1 | 9 |
| 3ful_ligand_3_16.mol2 | 3ful | 0.75 | -7.13 | C(C)Oc1ccccc1 | 9 |
| 4umu_ligand_2_0.mol2 | 4umu | 0.75 | -7.05 | c1(ccccc1)OCC | 9 |
| 3elm_ligand_2_1.mol2 | 3elm | 0.75 | -6.95 | O(c1ccccc1)CC | 9 |
| 4mm8_ligand_3_10.mol2 | 4mm8 | 0.75 | -6.91 | CCOc1ccccc1 | 9 |
| 5c42_ligand_3_13.mol2 | 5c42 | 0.75 | -6.90 | C(C)Oc1ccccc1 | 9 |
| 1ros_ligand_2_35.mol2 | 1ros | 0.75 | -6.89 | C(C)Oc1ccccc1 | 9 |
151 ,
16
