Common name
(2S,4S)-2-methyl-4-propyl-1,3-dioxolane
IUPAC name
(2S,4S)-2-methyl-4-propyl-1,3-dioxolane
SMILES
C(CC)[C@@H]1O[C@@H](C)OC1
Common name
(2S,4S)-2-methyl-4-propyl-1,3-dioxolane
IUPAC name
(2S,4S)-2-methyl-4-propyl-1,3-dioxolane
SMILES
C(CC)[C@@H]1O[C@@H](C)OC1
INCHI
InChI=1S/C7H14O2/c1-3-4-7-5-8-6(2)9-7/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
FORMULA
C7H14O2
Common name
(2S,4S)-2-methyl-4-propyl-1,3-dioxolane
IUPAC name
(2S,4S)-2-methyl-4-propyl-1,3-dioxolane
Molecular weight
130.185
clogP
1.650
clogS
-1.277
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
18.46
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03071 | propiconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1uz8_ligand_2_3.mol2 | 1uz8 | 0.777778 | -5.60 | [C@@H]1(CCC[C@H](O1)CO)OC | 10 |
| 2liq_ligand_2_24.mol2 | 2liq | 0.777778 | -5.34 | C(O)[C@@H]1CCC[C@H](OC)O1 | 10 |
| 1uz8_ligand_1_0.mol2 | 1uz8 | 0.774194 | -5.40 | [C@@H]1(CCCCO1)OC | 8 |
| 2liq_ligand_1_3.mol2 | 2liq | 0.774194 | -5.37 | O(C)[C@H]1CCCCO1 | 8 |
| 3afk_ligand_2_17.mol2 | 3afk | 0.756757 | -5.18 | O([C@H]1OC[C@@H](CC1)O)CC | 10 |
| 3aya_ligand_2_7.mol2 | 3aya | 0.756757 | -5.02 | O([C@H]1OC[C@@H](CC1)O)CC | 10 |
| 1ugx_ligand_1_2.mol2 | 1ugx | 0.75 | -6.08 | C1O[C@@H](CC[C@H]1O)OC | 9 |
| 1m7d_ligand_1_2.mol2 | 1m7d | 0.75 | -5.78 | O(C)[C@H]1CC[C@@H](CO1)O | 9 |
107 ,
11
