Common name
(2R,3S,4S)-2-methyltetrahydrofuran-3,4-diol
IUPAC name
(2R,3S,4S)-2-methyltetrahydrofuran-3,4-diol
SMILES
O1C(C(C(C1)O)O)C
Common name
(2R,3S,4S)-2-methyltetrahydrofuran-3,4-diol
IUPAC name
(2R,3S,4S)-2-methyltetrahydrofuran-3,4-diol
SMILES
O1C(C(C(C1)O)O)C
INCHI
InChI=1S/C5H10O3/c1-3-5(7)4(6)2-8-3/h3-7H,2H2,1H3/t3-,4+,5-/m1/s1
FORMULA
C5H10O3
Common name
(2R,3S,4S)-2-methyltetrahydrofuran-3,4-diol
IUPAC name
(2R,3S,4S)-2-methyltetrahydrofuran-3,4-diol
Molecular weight
118.131
clogP
-0.186
clogS
0.776
Frequency
0.0014
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
49.69
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00011 | S-Adenosylmethionine |
|
Dietary Supplements; Micronutrients; Supplements; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of depression, liver disorders, fibromyalgia, and osteoarthritis.Also as a dietary supplement for the support of bone and joint health, as well as mood and emotional well being. |
| FDBD00023 | Adenosine monophosphate |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00060 | Adenosine triphosphate |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00951 | Capecitabine |
|
Antineoplastic Agents; Immunosuppressive Agents; Antimetabolites; Antimetabolites, Antineoplastic; Prodrugs; Antineoplastic and Immunomodulating Agents; Pyrimidine Analogues; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of patients with metastatic breast cancer resistant to both paclitaxel and an anthracycline-containing chemotherapy regimen. May also be used in combination with docetaxel for the treatment of metastatic breast cancer in patients who have failed to respond to, or recurred or relasped during or following anthracycline-containing chemotherapy. Capecitabine is used alone as an adjuvant therapy following the complete resection of primary tumor in patients with stage III colon cancer when monotherapy with fluroprymidine is preferred. The use or capecitabine in combination regimens for advanced gastric cancer is currently being investigated. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kxl_ligand_1_3.mol2 | 4kxl | 1 | -6.67 | C[C@H]1OC[C@@H]([C@@H]1O)O | 8 |
| 2wr8_ligand_1_4.mol2 | 2wr8 | 1 | -6.65 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C | 8 |
| 4kxm_ligand_1_2.mol2 | 4kxm | 1 | -6.65 | C[C@H]1OC[C@@H]([C@@H]1O)O | 8 |
| 2b1i_ligand_1_1.mol2 | 2b1i | 1 | -6.61 | C[C@H]1OC[C@@H]([C@@H]1O)O | 8 |
| 4p5d_ligand_1_2.mol2 | 4p5d | 1 | -6.59 | C[C@H]1OC[C@@H]([C@@H]1O)O | 8 |
| 2xaf_ligand_1_3.mol2 | 2xaf | 1 | -6.58 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C | 8 |
| 1m9n_ligand_1_2.mol2 | 1m9n | 1 | -6.57 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C | 8 |
| 4gbd_ligand_1_1.mol2 | 4gbd | 1 | -6.56 | C1[C@@H]([C@@H]([C@H](O1)C)O)O | 8 |
| 2jbv_ligand_1_3.mol2 | 2jbv | 1 | -6.55 | C[C@H]1OC[C@@H]([C@@H]1O)O | 8 |
| 1h2t_ligand_1_10.mol2 | 1h2t | 1 | -6.54 | [C@@H]1(OC[C@@H]([C@@H]1O)O)C | 8 |
636 ,
64
