Responsive image

Common name

(3S,4R,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol

IUPAC name

(3S,4R,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol

SMILES

N(C)(C)C1C(COC(C1)C)O

Common name

(3S,4R,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol

IUPAC name

(3S,4R,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol

SMILES

N(C)(C)C1C(COC(C1)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

Responsive image

Common name

(3S,4R,6S)-4-(dimethylamino)-6-methyl-tetrahydropyran-3-ol

IUPAC name

(3S,4R,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 Polar
Surface Area

32.7

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00830 Telithromycin Responsive image Anti-Bacterial Agents; Ketolides; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For the treatment of .
FDBD01129 Josamycin Responsive image Anti-Bacterial Agents; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; CYP3A4 Inhibitors; For the treatment of bacterial 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