Common name
5-methyl-3-phenyl-isoxazole
IUPAC name
5-methyl-3-phenyl-isoxazole
SMILES
c1(ccccc1)c2noc(c2)C
Common name
5-methyl-3-phenyl-isoxazole
IUPAC name
5-methyl-3-phenyl-isoxazole
SMILES
c1(ccccc1)c2noc(c2)C
INCHI
InChI=1S/C10H9NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-7H,1H3
FORMULA
C10H9NO
Common name
5-methyl-3-phenyl-isoxazole
IUPAC name
5-methyl-3-phenyl-isoxazole
Molecular weight
159.185
clogP
2.934
clogS
-3.222
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.03
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00577 | Oxacillin |
|
Anti-Bacterial Agents; Penicillins; Genito Urinary System and Sex Hormones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antibacterials for Intramammary Use; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials, Penicillins; Beta-Lactam Antibacterials, Penicillins, for Intramammary Use; Antiinfectives and Antiseptics for Intrauterine Use; | Used in the treatment of resistant staphylococci infections. |
| FDBD01510 | Parecoxib |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Coxibs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; | Used for short term perioperative pain control. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ovz_ligand_2_54.mol2 | 2ovz | 1 | -7.73 | c1(ccccc1)c1cc(on1)C | 12 |
| 4gr0_ligand_2_30.mol2 | 4gr0 | 1 | -7.65 | n1oc(cc1c1ccccc1)C | 12 |
| 4gr3_ligand_2_39.mol2 | 4gr3 | 1 | -7.60 | c1(ccccc1)c1noc(C)c1 | 12 |
| 4gql_ligand_2_42.mol2 | 4gql | 1 | -7.59 | c1(ccccc1)c1noc(c1)C | 12 |
| 4gr8_ligand_2_27.mol2 | 4gr8 | 1 | -7.56 | n1oc(cc1c1ccccc1)C | 12 |
| 2aw1_ligand_1_2.mol2 | 2aw1 | 1 | -6.88 | c1(ccccc1)c1cc(on1)C | 12 |
| 2xy9_ligand_2_104.mol2 | 2xy9 | 1 | -6.60 | Cc1cc(no1)c1ccccc1 | 12 |
| 4ca7_ligand_2_80.mol2 | 4ca7 | 1 | -6.53 | Cc1cc(no1)c1ccccc1 | 12 |
102 ,
11
