Common name
[(2R)-6-fluorochroman-2-yl]methanol
IUPAC name
[(2R)-6-fluorochroman-2-yl]methanol
SMILES
C(O)C1CCc2cc(ccc2O1)F
Common name
[(2R)-6-fluorochroman-2-yl]methanol
IUPAC name
[(2R)-6-fluorochroman-2-yl]methanol
SMILES
C(O)C1CCc2cc(ccc2O1)F
INCHI
InChI=1S/C10H11FO2/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h2,4-5,9,12H,1,3,6H2/t9-/m1/s1
FORMULA
C10H11FO2
Common name
[(2R)-6-fluorochroman-2-yl]methanol
IUPAC name
[(2R)-6-fluorochroman-2-yl]methanol
Molecular weight
182.192
clogP
2.551
clogS
-2.392
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01334 | Nebivolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Vasodilator Agents; Adrenergic beta-1 Receptor Agonists; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Beta Blocking Agents, Selective, and Thiazides; Beta Blocking Agents and Thiazides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of essential hypertension. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4p6g_ligand_frag_0.mol2 | 4p6g | 0.729412 | -6.82 | c1c2c(ccc1)OCCC2 | 10 |
| 4lh5_ligand_frag_1.mol2 | 4lh5 | 0.729412 | -6.71 | c1ccc2c(c1)CCCO2 | 10 |
| 4mu7_ligand_frag_7.mol2 | 4mu7 | 0.729412 | -6.14 | C1CCOc2ccccc12 | 10 |
| 4hy0_ligand_frag_9.mol2 | 4hy0 | 0.729412 | -6.13 | C1CCOc2ccccc12 | 10 |
| 4mti_ligand_frag_7.mol2 | 4mti | 0.729412 | -6.03 | C1CCOc2ccccc12 | 10 |
| 4hy5_ligand_frag_9.mol2 | 4hy5 | 0.729412 | -6.02 | C1CCOc2ccccc12 | 10 |
| 4lgu_ligand_frag_7.mol2 | 4lgu | 0.729412 | -6.02 | C1CCOc2ccccc12 | 10 |
| 4lge_ligand_frag_7.mol2 | 4lge | 0.729412 | -6.00 | C1CCOc2ccccc12 | 10 |
101 ,
11
