Common name
2,3-dihydrobenzofuran
IUPAC name
2,3-dihydrobenzofuran
SMILES
O1c2c(cccc2)CC1
Common name
2,3-dihydrobenzofuran
IUPAC name
2,3-dihydrobenzofuran
SMILES
O1c2c(cccc2)CC1
INCHI
InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
FORMULA
C8H8O
Common name
2,3-dihydrobenzofuran
IUPAC name
2,3-dihydrobenzofuran
Molecular weight
120.149
clogP
2.622
clogS
-2.034
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00369 | Darifenacin |
|
Muscarinic Antagonists; Antispasmodic Agents; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency and frequency. |
| FDBD01656 | Tasimelteon |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Melatonin Receptor Agonists; | Tasimelteon is indicated for the treatment of Non-24-Hour Sleep-Wake Disorder (N24HSWD). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4phu_ligand_1_9.mol2 | 4phu | 0.705128 | -7.80 | C(C(=O)O)[C@H]1c2ccccc2OC1 | 13 |
| 4mk8_ligand_3_16.mol2 | 4mk8 | 0.553571 | -6.28 | c1cc(c(cc1)CC)OC | 10 |
| 2fm0_ligand_5_127.mol2 | 2fm0 | 0.545455 | -7.54 | O(C1CC1)c1c(O)ccc(CC)c1 | 13 |
| 2fm5_ligand_5_127.mol2 | 2fm5 | 0.545455 | -7.50 | c1(c(cc(cc1)CC)OC1CC1)O | 13 |
101 ,
11
