Common name
isoxazole
IUPAC name
isoxazole
SMILES
n1ccco1
Common name
isoxazole
IUPAC name
isoxazole
SMILES
n1ccco1
INCHI
InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
FORMULA
C3H3NO
Common name
isoxazole
IUPAC name
isoxazole
Molecular weight
69.062
clogP
1.233
clogS
-0.637
Frequency
0.0017
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.03
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00989 | Micafungin |
|
Antifungal Agents; Antiinfectives for Systemic Use; Antimycotics for Systemic Use; | For use in the treatment of candidemia, acute disseminated candidiasis, and certain other invasive . |
| FDBD02141 | isoxathion |
|
Insecticide | Insecticide |
| FDBD02372 | isoxaben |
|
Herbicide | Herbicide |
| FDBD02510 | isoxachlortole |
|
Herbicide | Herbicide |
| FDBD02511 | isoxaflutole |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ljt_ligand_frag_2.mol2 | 1ljt | 1 | -5.83 | n1occc1 | 5 |
| 2ovz_ligand_frag_10.mol2 | 2ovz | 1 | -5.64 | c1ccno1 | 5 |
| 4gr3_ligand_frag_1.mol2 | 4gr3 | 1 | -5.64 | n1occc1 | 5 |
| 4gr0_ligand_frag_1.mol2 | 4gr0 | 1 | -5.63 | n1occc1 | 5 |
| 4gql_ligand_frag_1.mol2 | 4gql | 1 | -5.62 | n1occc1 | 5 |
| 4gr8_ligand_frag_1.mol2 | 4gr8 | 1 | -5.62 | n1occc1 | 5 |
| 5ale_ligand_frag_1.mol2 | 5ale | 1 | -5.52 | c1ccno1 | 5 |
| 3fxv_ligand_frag_3.mol2 | 3fxv | 1 | -5.44 | c1cnoc1 | 5 |
110 ,
12
