Common name
(3R,4S,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol
IUPAC name
(3R,4S,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol
SMILES
C1(COC(CC1N(C)C)C)O
Common name
(3R,4S,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol
IUPAC name
(3R,4S,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol
SMILES
C1(COC(CC1N(C)C)C)O
INCHI
InChI=1S/C8H17NO2/c1-6-4-7(9(2)3)8(10)5-11-6/h6-8,10H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
FORMULA
C8H17NO2
Common name
(3R,4S,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol
IUPAC name
(3R,4S,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol
Molecular weight
159.226
clogP
0.054
clogS
-0.228
Frequency
0.0007
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
32.7
Number of Rings
1
Rotatable Bond
1
| 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 |
|---|---|---|---|---|---|
| 2iyf_ligand_1_5.mol2 | 2iyf | 1 | -5.99 | C1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O | 11 |
| 2iyf_ligand_2_18.mol2 | 2iyf | 0.851064 | -6.04 | [C@@H]1([C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O)O | 12 |
| 2qp8_ligand_3_284.mol2 | 2qp8 | 0.714286 | -6.42 | C(C)O[C@@H]1C[C@@H]([NH2+]CC1)CO | 11 |
| 2wf4_ligand_1_5.mol2 | 2wf4 | 0.675 | -6.06 | C1(CCOCC1)[NH2+]C | 8 |
| 2qp8_ligand_4_708.mol2 | 2qp8 | 0.673077 | -6.80 | C(C)O[C@@H]1C[C@@H]([NH2+]CC1)[C@@H](O)C | 12 |
| 1m7d_ligand_frag_1.mol2 | 1m7d | 0.625 | -6.39 | C1CC[C@H]([C@@H](O1)C)O | 8 |
111 ,
12
