Common name
6-fluoro-1,2-benzoxazole
IUPAC name
6-fluoro-1,2-benzoxazole
SMILES
Fc1cc2oncc2cc1
Common name
6-fluoro-1,2-benzoxazole
IUPAC name
6-fluoro-1,2-benzoxazole
SMILES
Fc1cc2oncc2cc1
INCHI
InChI=1S/C7H4FNO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H
FORMULA
C7H4FNO
Common name
6-fluoro-1,2-benzoxazole
IUPAC name
6-fluoro-1,2-benzoxazole
Molecular weight
137.111
clogP
2.364
clogS
-2.558
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.03
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00598 | Risperidone |
|
Antipsychotic Agents; Serotonin Antagonists; Adrenergic alpha-1 Receptor Antagonists; Dopamine Antagonists; Nervous System; Psycholeptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Alpha2 Agonists; | For the treatment of schizophrenia in adults and in adolescents, ages 13 to 17, and for the short-term treatment of manic or mixed episodes of bipolar I disorder in children and adolescents ages 10 to 17. May also be used to manage symptoms of inappropriate behavior due to aggression and/or psychosis in patients with severe dementia. |
| FDBD01108 | Paliperidone |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Dopamine D2 Receptor Antagonists; Serotonin 5-HT2 Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Alpha2 Agonists; | For the treatment of schizophrenia. |
| FDBD01352 | Iloperidone |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Treatment of acute schizophrenia. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bgp_ligand_frag_1.mol2 | 3bgp | 0.893617 | -6.67 | c1ccc2nocc2c1 | 9 |
| 3ipu_ligand_frag_0.mol2 | 3ipu | 0.893617 | -6.63 | c1ccc2c(c1)cno2 | 9 |
| 3ips_ligand_frag_6.mol2 | 3ips | 0.893617 | -6.61 | c1cc2c(cc1)cno2 | 9 |
| 2ath_ligand_frag_2.mol2 | 2ath | 0.893617 | -6.48 | c1c2oncc2ccc1 | 9 |
| 3bmy_ligand_frag_0.mol2 | 3bmy | 0.893617 | -6.29 | c1cc2c(cc1)cno2 | 9 |
| 3bmy_ligand_1_0.mol2 | 3bmy | 0.736842 | -6.30 | Nc1ccc2c(c1)cno2 | 10 |
| 1u3s_ligand_frag_1.mol2 | 1u3s | 0.724138 | -6.81 | c1c2c(on1)cc(cc2)O | 10 |
| 3ipu_ligand_1_0.mol2 | 3ipu | 0.724138 | -6.59 | c1c(cc2c(c1)cno2)O | 10 |
| 3ips_ligand_1_6.mol2 | 3ips | 0.724138 | -6.57 | c1(cc2c(cc1)cno2)O | 10 |
| 3bm9_ligand_frag_0.mol2 | 3bm9 | 0.724138 | -6.52 | c1cc2c(cc1O)onc2 | 10 |
100 ,
11
