Responsive image

Common name

(2S,3S,4S)-2-[(dimethyl-λ3-sulfanyl)methyl]tetrahydrofuran-3,4-diol

IUPAC name

(2S,3S,4S)-2-[(dimethyl-λ3-sulfanyl)methyl]tetrahydrofuran-3,4-diol

SMILES

[S](C)(CC1OCC(C1O)O)C

Common name

(2S,3S,4S)-2-[(dimethyl-λ3-sulfanyl)methyl]tetrahydrofuran-3,4-diol

IUPAC name

(2S,3S,4S)-2-[(dimethyl-λ3-sulfanyl)methyl]tetrahydrofuran-3,4-diol

SMILES

[S](C)(CC1OCC(C1O)O)C

INCHI

InChI=1S/C7H15O3S/c1-11(2)4-6-7(9)5(8)3-10-6/h5-9H,3-4H2,1-2H3/t5-,6+,7-/m0/s1

FORMULA

C7H15O3S

Responsive image

Common name

(2S,3S,4S)-2-[(dimethyl-λ3-sulfanyl)methyl]tetrahydrofuran-3,4-diol

IUPAC name

(2S,3S,4S)-2-[(dimethyl-λ3-sulfanyl)methyl]tetrahydrofuran-3,4-diol





Molecular weight

179.257

clogP

-0.953

clogS

-0.180

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

49.69

Number of Rings

1

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00011 S-Adenosylmethionine Responsive image 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.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2pt9_ligand_3_16.mol2 2pt9 1 -6.58 [C@@H]1(OC[C@@H]([C@@H]1O)O)C[S](C)C 11
4fak_ligand_3_16.mol2 4fak 1 -6.31 C[S](C)C[C@H]1OC[C@@H]([C@@H]1O)O 11
4ymg_ligand_3_16.mol2 4ymg 1 -6.31 [S](C)(C)C[C@H]1OC[C@@H]([C@@H]1O)O 11
3h0v_ligand_2_0.mol2 3h0v 1 -6.28 [C@@H]1(OC[C@@H]([C@@H]1O)O)C[S](C)C 11
1nw5_ligand_3_16.mol2 1nw5 1 -6.15 [C@@H]1(OC[C@@H]([C@@H]1O)O)C[S](C)C 11
2h21_ligand_3_16.mol2 2h21 1 -6.11 [S](C)(C)C[C@H]1OC[C@@H]([C@@H]1O)O 11
4bup_ligand_3_16.mol2 4bup 1 -6.08 [C@@H]1(OC[C@@H]([C@@H]1O)O)C[S](C)C 11
674 , 68