Common name
methoxymethylbenzene
IUPAC name
methoxymethylbenzene
SMILES
O(C)Cc1ccccc1
Common name
methoxymethylbenzene
IUPAC name
methoxymethylbenzene
SMILES
O(C)Cc1ccccc1
INCHI
InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
FORMULA
C8H10O
Common name
methoxymethylbenzene
IUPAC name
methoxymethylbenzene
Molecular weight
122.164
clogP
2.180
clogS
-2.126
Frequency
0.0045
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02305 | flufenprox |
|
Insecticide | Insecticide |
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
| FDBD02433 | pyrimisulfan |
|
Herbicide | Herbicide |
13 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bkt_ligand_3_55.mol2 | 2bkt | 1 | -7.03 | c1c(cccc1)COC | 9 |
| 2bks_ligand_3_91.mol2 | 2bks | 1 | -6.74 | C(OC)c1ccccc1 | 9 |
| 1rt2_ligand_3_34.mol2 | 1rt2 | 1 | -6.73 | c1(ccccc1)COC | 9 |
| 3iw8_ligand_3_0.mol2 | 3iw8 | 1 | -6.55 | O(C)Cc1ccccc1 | 9 |
| 4xm8_ligand_2_27.mol2 | 4xm8 | 1 | -6.47 | O(C)Cc1ccccc1 | 9 |
| 1o1s_ligand_3_244.mol2 | 1o1s | 1 | -6.44 | COCc1ccccc1 | 9 |
| 1d4h_ligand_3_348.mol2 | 1d4h | 1 | -6.33 | COCc1ccccc1 | 9 |
| 1d4i_ligand_3_21.mol2 | 1d4i | 1 | -6.32 | C(OC)c1ccccc1 | 9 |
230 ,
24
