Common name
2-benzyloxyphenol
IUPAC name
2-benzyloxyphenol
SMILES
c1(c(cccc1)O)OCc2ccccc2
Common name
2-benzyloxyphenol
IUPAC name
2-benzyloxyphenol
SMILES
c1(c(cccc1)O)OCc2ccccc2
INCHI
InChI=1S/C13H12O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,14H,10H2
FORMULA
C13H12O2
Common name
2-benzyloxyphenol
IUPAC name
2-benzyloxyphenol
Molecular weight
200.233
clogP
2.915
clogS
-3.127
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00122 | Reboxetine |
|
Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of clinical depression. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gz9_ligand_4_311.mol2 | 3gz9 | 0.813953 | -7.65 | Oc1cccc(COc2ccccc2)c1 | 15 |
| 3h0a_ligand_4_459.mol2 | 3h0a | 0.813953 | -7.56 | O(Cc1cccc(O)c1)c1ccccc1 | 15 |
| 4ybm_ligand_4_125.mol2 | 4ybm | 0.813953 | -5.77 | C(c1ccccc1)Oc1cc(ccc1)O | 15 |
| 4eh8_ligand.mol2 | 4eh8 | 0.777778 | -8.15 | c1ccccc1COc1cc(ccc1)CO | 17 |
| 3fum_ligand_4_3.mol2 | 3fum | 0.714286 | -7.38 | CCOc1ccc(CO)cc1 | 11 |
| 3ful_ligand_4_10.mol2 | 3ful | 0.714286 | -7.34 | C(C)Oc1ccc(CO)cc1 | 11 |
| 2bkt_ligand_4_0.mol2 | 2bkt | 0.688889 | -7.01 | c1(c(cccc1)COC)OC | 11 |
| 2bks_ligand_4_0.mol2 | 2bks | 0.688889 | -6.71 | C(OC)c1c(OC)cccc1 | 11 |
| 4y2t_ligand.mol2 | 4y2t | 0.679245 | -8.09 | c1ccc(cc1)COc1ccc(cc1)CCCO | 19 |
| 3fum_ligand_3_1.mol2 | 3fum | 0.666667 | -7.05 | COc1ccc(CO)cc1 | 10 |
100 ,
11
