Common name
methyl benzoate
IUPAC name
methyl benzoate
SMILES
O(C(=O)c1ccccc1)C
Common name
methyl benzoate
IUPAC name
methyl benzoate
SMILES
O(C(=O)c1ccccc1)C
INCHI
InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
FORMULA
C8H8O2
Common name
methyl benzoate
IUPAC name
methyl benzoate
Molecular weight
136.148
clogP
1.693
clogS
-1.685
Frequency
0.0038
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 |
|---|---|---|---|---|
| FDBD00541 | Benzyl Benzoate |
|
Insecticides; Acaricides; Antiparasitic Products, Insecticides and Repellents; Ectoparasiticides, Incl. Scabicides; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; | Used to kill lice and the mites responsible for the skin condition scabies. |
| FDBD01194 | Antrafenine |
|
; | Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain. |
| FDBD01524 | Bopindolol |
|
Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation. |
| FDBD01603 | Floctafenine |
|
Analgesics; Nervous System; | |
| FDBD01608 | Etofenamate |
|
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; | |
| FDBD01668 | Tetracaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Esters of Aminobenzoic Acid; | |
| FDBD01671 | Trimebutine |
|
Gastrointestinal Agents; Parasympatholytics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Synthetic Anticholinergics, Esters With Tertiary Amino Group; | |
| FDBD02614 | 2,4-DEB |
|
Herbicide | Herbicide |
| FDBD02691 | pyribambenz-propyl |
|
Herbicide | Herbicide |
| FDBD02762 | propoxycarbazone |
|
Herbicide | Herbicide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4y5d_ligand_frag_1.mol2 | 4y5d | 1 | -7.04 | O=C(OC)c1ccccc1 | 10 |
| 4mg6_ligand_1_3.mol2 | 4mg6 | 1 | -6.92 | COC(=O)c1ccccc1 | 10 |
| 1dzm_ligand_1_1.mol2 | 1dzm | 1 | -6.81 | COC(=O)c1ccccc1 | 10 |
| 4l31_ligand_1_0.mol2 | 4l31 | 1 | -6.72 | COC(=O)c1ccccc1 | 10 |
| 2byr_ligand_1_1.mol2 | 2byr | 1 | -6.41 | c1ccccc1C(=O)OC | 10 |
| 1g35_ligand_frag_6.mol2 | 1g35 | 1 | -6.20 | c1ccc(cc1)C(=O)OC | 10 |
| 2is0_ligand_1_4.mol2 | 2is0 | 1 | -6.11 | C(=O)(OC)c1ccccc1 | 10 |
278 ,
28
