Common name
1,4-dioxaspiro[4.5]decane
IUPAC name
1,4-dioxaspiro[4.5]decane
SMILES
O1C2(OCC1)CCCCC2
Common name
1,4-dioxaspiro[4.5]decane
IUPAC name
1,4-dioxaspiro[4.5]decane
SMILES
O1C2(OCC1)CCCCC2
INCHI
InChI=1S/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
FORMULA
C8H14O2
Common name
1,4-dioxaspiro[4.5]decane
IUPAC name
1,4-dioxaspiro[4.5]decane
Molecular weight
142.196
clogP
2.326
clogS
-1.542
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
18.46
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00114 | Guanadrel |
|
Antihypertensive Agents; | Used to treat and control hypertension. |
| FDBD03266 | spiroxamine |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tv3_ligand_3_19.mol2 | 4tv3 | 0.827586 | -5.77 | C(O)COC1CCCCC1 | 10 |
| 1s3k_ligand_1_7.mol2 | 1s3k | 0.735294 | -5.34 | [C@H]1(CCC[C@H](O1)CO)O | 9 |
| 4dxg_ligand_1_8.mol2 | 4dxg | 0.735294 | -5.24 | C(O)[C@@H]1CCC[C@H](O1)O | 9 |
| 1fwu_ligand_1_4.mol2 | 1fwu | 0.735294 | -5.15 | C(O)[C@H]1O[C@H](CCC1)O | 9 |
| 4gwi_ligand_1_7.mol2 | 4gwi | 0.735294 | -4.95 | C(O)[C@@H]1CCC[C@@H](O1)O | 9 |
| 1uz8_ligand_1_4.mol2 | 1uz8 | 0.733333 | -5.57 | C1CCC[C@H](O1)CO | 8 |
| 2liq_ligand_1_7.mol2 | 2liq | 0.733333 | -5.36 | C(O)[C@@H]1CCCCO1 | 8 |
| 1uz8_ligand_2_3.mol2 | 1uz8 | 0.72973 | -5.60 | [C@@H]1(CCC[C@H](O1)CO)OC | 10 |
117 ,
12
