Common name
2-phenoxyethanol
IUPAC name
2-phenoxyethanol
SMILES
C(Oc1ccccc1)CO
Common name
2-phenoxyethanol
IUPAC name
2-phenoxyethanol
SMILES
C(Oc1ccccc1)CO
INCHI
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
FORMULA
C8H10O2
Common name
2-phenoxyethanol
IUPAC name
2-phenoxyethanol
Molecular weight
138.164
clogP
1.540
clogS
-1.586
Frequency
0.0072
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03231 | bitertanol |
|
Fungicide | Fungicide |
21 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chs_ligand_3_52.mol2 | 3chs | 1 | -7.01 | O(c1ccccc1)CCO | 10 |
| 1ikt_ligand_4_505.mol2 | 1ikt | 1 | -6.59 | OCCOc1ccccc1 | 10 |
| 4q1c_ligand_3_0.mol2 | 4q1c | 1 | -6.29 | C(CO)Oc1ccccc1 | 10 |
| 1h08_ligand_3_0.mol2 | 1h08 | 1 | -6.18 | C(O)COc1ccccc1 | 10 |
| 2gfs_ligand_3_16.mol2 | 2gfs | 1 | -6.16 | C(CO)Oc1ccccc1 | 10 |
| 4q1a_ligand_3_0.mol2 | 4q1a | 1 | -6.11 | c1(ccccc1)OCCO | 10 |
| 4q1c_ligand_3_136.mol2 | 4q1c | 1 | -6.09 | c1ccccc1OCCO | 10 |
| 1h07_ligand_3_100.mol2 | 1h07 | 1 | -6.07 | c1ccccc1OCCO | 10 |
| 3eid_ligand_3_49.mol2 | 3eid | 1 | -6.07 | C(O)COc1ccccc1 | 10 |
174 ,
18
