Common name
[(2S)-tetrahydrofuran-2-yl]methanol
IUPAC name
[(2S)-tetrahydrofuran-2-yl]methanol
SMILES
O1CCCC1CO
Common name
[(2S)-tetrahydrofuran-2-yl]methanol
IUPAC name
[(2S)-tetrahydrofuran-2-yl]methanol
SMILES
O1CCCC1CO
INCHI
InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m0/s1
FORMULA
C5H10O2
Common name
[(2S)-tetrahydrofuran-2-yl]methanol
IUPAC name
[(2S)-tetrahydrofuran-2-yl]methanol
Molecular weight
102.132
clogP
1.022
clogS
-0.253
Frequency
0.0010
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 |
|---|---|---|---|---|
| FDBD00368 | Zidovudine |
|
Anti-HIV Agents; Antimetabolites; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; | Used in combination with other antiretroviral agents for the treatment of human immunovirus (HIV) infections. |
| FDBD00758 | Didanosine |
|
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 use in combination with other antiretroviral agents in the treatment of HIV-1 infection in adults. |
| FDBD00798 | Zalcitabine |
|
Anti-HIV Agents; Antimetabolites; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of Human immunovirus (HIV) infections in conjunction with other antivirals. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5tmp_ligand_2_16.mol2 | 5tmp | 1 | -5.94 | C(O)[C@H]1OCCC1 | 7 |
| 5tmp_ligand_3_133.mol2 | 5tmp | 1 | -5.94 | C([C@@H]1CCCO1)O | 7 |
| 4lhm_ligand_1_0.mol2 | 4lhm | 1 | -5.68 | [C@@H]1(OCCC1)CO | 7 |
| 4lhm_ligand_2_0.mol2 | 4lhm | 1 | -5.68 | [C@H]1(CCCO1)CO | 7 |
| 1cs4_ligand_1_1.mol2 | 1cs4 | 1 | -5.62 | C(O)[C@H]1OCCC1 | 7 |
| 3au6_ligand_2_25.mol2 | 3au6 | 1 | -5.62 | OC[C@H]1OCCC1 | 7 |
| 3bbb_ligand_1_0.mol2 | 3bbb | 1 | -5.42 | [C@@H]1(OCCC1)CO | 7 |
| 1jn4_ligand_1_7.mol2 | 1jn4 | 1 | -5.32 | C(O)[C@H]1OCCC1 | 7 |
| 1qhc_ligand_2_85.mol2 | 1qhc | 1 | -5.32 | OC[C@@H]1CCCO1 | 7 |
| 1w4p_ligand_1_2.mol2 | 1w4p | 1 | -5.32 | C1CC[C@H](O1)CO | 7 |
106 ,
11
