Common name
(3R,6S)-6-methyltetrahydropyran-3-ol
IUPAC name
(3R,6S)-6-methyltetrahydropyran-3-ol
SMILES
C1(COC(CC1)C)O
Common name
(3R,6S)-6-methyltetrahydropyran-3-ol
IUPAC name
(3R,6S)-6-methyltetrahydropyran-3-ol
SMILES
C1(COC(CC1)C)O
INCHI
InChI=1S/C6H12O2/c1-5-2-3-6(7)4-8-5/h5-7H,2-4H2,1H3/t5-,6+/m0/s1
FORMULA
C6H12O2
Common name
(3R,6S)-6-methyltetrahydropyran-3-ol
IUPAC name
(3R,6S)-6-methyltetrahydropyran-3-ol
Molecular weight
116.158
clogP
0.991
clogS
-0.305
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
29.46
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00095 | Azithromycin |
|
Anti-Bacterial Agents; Macrolides; Antibiotics; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of patients with mild to moderate infections caused by susceptible strains of the designated microorganisms in the specific conditions: . |
| FDBD00809 | Dirithromycin |
|
Anti-Infective Agents; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; | For the treatment of the following mild-to-moderate infections caused by susceptible strains of microorganisms: acute bacterial exacerbations of chronic bronchitis, secondary bacterial infection of acute bronchitis, community-acquired pneumonia, pharyngitis/tonsilitis, and uncomplicated skin and skin structure infections. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m7d_ligand_frag_1.mol2 | 1m7d | 1 | -6.39 | C1CC[C@H]([C@@H](O1)C)O | 8 |
| 4urn_ligand_frag_2.mol2 | 4urn | 1 | -6.34 | C1C[C@H](COC1(C)C)O | 9 |
| 4uro_ligand_frag_2.mol2 | 4uro | 1 | -6.30 | C1C[C@H](COC1(C)C)O | 9 |
| 1kzn_ligand_frag_1.mol2 | 1kzn | 1 | -6.24 | C1C(OC[C@@H](C1)O)(C)C | 9 |
| 1aj6_ligand_frag_2.mol2 | 1aj6 | 1 | -6.19 | C1C(OC[C@@H](C1)O)(C)C | 9 |
| 2iyf_ligand_frag_4.mol2 | 2iyf | 1 | -5.91 | C1[C@@H](CC[C@H](O1)C)O | 8 |
| 2iyf_ligand_frag_6.mol2 | 2iyf | 1 | -5.38 | C1C[C@@H]([C@H]([C@@H](O1)C)O)C | 9 |
| 4oeg_ligand_1_3.mol2 | 4oeg | 1 | -5.12 | C[C@@H]1[C@H](CCCO1)O | 8 |
100 ,
11
