Common name
(2R,4R,6S)-6-methyloxane-2,4-diol
IUPAC name
(2R,4R,6S)-6-methyloxane-2,4-diol
SMILES
O[C@@H]1C[C@@H](O[C@H](C1)O)C
Common name
(2R,4R,6S)-6-methyloxane-2,4-diol
IUPAC name
(2R,4R,6S)-6-methyloxane-2,4-diol
SMILES
O[C@@H]1C[C@@H](O[C@H](C1)O)C
INCHI
InChI=1S/C6H12O3/c1-4-2-5(7)3-6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6+/m0/s1
FORMULA
C6H12O3
Common name
(2R,4R,6S)-6-methyloxane-2,4-diol
IUPAC name
(2R,4R,6S)-6-methyloxane-2,4-diol
Molecular weight
132.158
clogP
0.061
clogS
0.481
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
49.69
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02018 | spinetoram |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b0w_ligand_1_1.mol2 | 3b0w | 1 | -6.19 | O[C@H]1C[C@@H](C[C@H](O1)C)O | 9 |
| 1f4y_ligand_1_0.mol2 | 1f4y | 1 | -6.13 | [C@H]1(C[C@H](C[C@H](O1)C)O)O | 9 |
| 4ret_ligand_1_1.mol2 | 4ret | 1 | -5.99 | O[C@H]1C[C@@H](C[C@H](O1)C)O | 9 |
| 3b0w_ligand_1_3.mol2 | 3b0w | 1 | -5.70 | O[C@H]1C[C@@H](C[C@H](O1)C)O | 9 |
| 4ret_ligand_1_3.mol2 | 4ret | 1 | -5.35 | [C@@H]1(C[C@@H](C[C@H](O1)C)O)O | 9 |
| 4hpi_ligand_1_1.mol2 | 4hpi | 0.896552 | -5.84 | O[C@H]1C[C@H](CCO1)O | 8 |
104 ,
11
