Common name
(2R)-2-(chloromethyl)oxirane
IUPAC name
(2R)-2-(chloromethyl)oxirane
SMILES
O1C(C1)CCl
Common name
(2R)-2-(chloromethyl)oxirane
IUPAC name
(2R)-2-(chloromethyl)oxirane
SMILES
O1C(C1)CCl
INCHI
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1
FORMULA
C3H5ClO
Common name
(2R)-2-(chloromethyl)oxirane
IUPAC name
(2R)-2-(chloromethyl)oxirane
Molecular weight
92.524
clogP
1.881
clogS
-0.869
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.53
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00257 | Colestipol |
|
Anion Exchange Resins; Hypolipidemic Agents; Bile acid sequestrants; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Sequestering Agents; | For use, as adjunctive therapy to diet, for the reduction of elevated serum total and LDL-C in patients with primary hypercholesterolemia (elevated LDL-C) who do not respond adequately to diet. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oc1_ligand_1_0.mol2 | 4oc1 | 0.533333 | -5.84 | C[C@H]1CO1 | 4 |
| 1jzs_ligand_1_3.mol2 | 1jzs | 0.533333 | -5.29 | C[C@@H]1OC1 | 4 |
| 4p6w_ligand_1_2.mol2 | 4p6w | 0.466667 | -5.41 | C(O)CCl | 4 |
| 4h85_ligand_1_0.mol2 | 4h85 | 0.45 | -6.28 | C[C@@H](Cl)C(=O)O | 6 |
| 4dzy_ligand_1_0.mol2 | 4dzy | 0.45 | -6.26 | C[C@@H](C(=O)O)Cl | 6 |
110 ,
12
