Common name
oxetane
IUPAC name
oxetane
SMILES
C1COC1
Common name
oxetane
IUPAC name
oxetane
SMILES
C1COC1
INCHI
InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
FORMULA
C3H6O
Common name
oxetane
IUPAC name
oxetane
Molecular weight
58.079
clogP
1.686
clogS
-0.269
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02818 | oxasulfuron |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4x60_ligand_frag_7.mol2 | 4x60 | 1 | -5.57 | C1COC1 | 4 |
| 4x61_ligand_frag_7.mol2 | 4x61 | 1 | -5.57 | C1COC1 | 4 |
| 4x63_ligand_frag_7.mol2 | 4x63 | 1 | -5.54 | C1COC1 | 4 |
| 4p6g_ligand_frag_5.mol2 | 4p6g | 1 | -4.91 | C1CCO1 | 4 |
| 4rcd_ligand_frag_1.mol2 | 4rcd | 0.888889 | -5.73 | C1OCC1C | 5 |
| 2yiu_ligand_3_131.mol2 | 2yiu | 0.777778 | -5.97 | C(C)(C)COC | 6 |
| 4gj7_ligand_3_219.mol2 | 4gj7 | 0.777778 | -5.93 | O(C)CCC | 5 |
| 2v0z_ligand_3_0.mol2 | 2v0z | 0.777778 | -5.90 | C(C)COC | 5 |
104 ,
11
