Common name
[(2S)-2,5-dihydrofuran-2-yl]methanol
IUPAC name
[(2S)-2,5-dihydrofuran-2-yl]methanol
SMILES
C(O)C1OCC=C1
Common name
[(2S)-2,5-dihydrofuran-2-yl]methanol
IUPAC name
[(2S)-2,5-dihydrofuran-2-yl]methanol
SMILES
C(O)C1OCC=C1
INCHI
InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h1-2,5-6H,3-4H2/t5-/m0/s1
FORMULA
C5H8O2
Common name
[(2S)-2,5-dihydrofuran-2-yl]methanol
IUPAC name
[(2S)-2,5-dihydrofuran-2-yl]methanol
Molecular weight
100.116
clogP
0.615
clogS
0.218
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00514 | Stavudine |
|
Anti-HIV Agents; Antimetabolites; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; | For the treatment of human immunovirus (HIV) infections. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vk2_ligand.mol2 | 2vk2 | 0.589286 | -7.73 | C(=C(\[C@H]1C(=C([C@@H](O1)O)O)O)/O)/O | 13 |
| 3hvi_ligand_2_18.mol2 | 3hvi | 0.509804 | -6.79 | C/C=C/[C@@H]1[C@H]([C@H](CO1)O)O | 10 |
| 3hvj_ligand_2_21.mol2 | 3hvj | 0.509804 | -6.78 | [C@H]1([C@H]([C@H](CO1)O)O)/C=C/C | 10 |
| 3hvh_ligand_2_15.mol2 | 3hvh | 0.509804 | -6.76 | C/C=C/[C@@H]1[C@H]([C@H](CO1)O)O | 10 |
| 3hvk_ligand_2_10.mol2 | 3hvk | 0.509804 | -6.59 | C(=C\C)/[C@@H]1[C@H]([C@H](CO1)O)O | 10 |
218 ,
22
