Responsive image

Common name

(2R,3R,4S)-2-methyltetrahydrofuran-3,4-diol

IUPAC name

(2R,3R,4S)-2-methyltetrahydrofuran-3,4-diol

SMILES

CC1OCC(C1O)O

Common name

(2R,3R,4S)-2-methyltetrahydrofuran-3,4-diol

IUPAC name

(2R,3R,4S)-2-methyltetrahydrofuran-3,4-diol

SMILES

CC1OCC(C1O)O

INCHI

InChI=1S/C5H10O3/c1-3-5(7)4(6)2-8-3/h3-7H,2H2,1H3/t3-,4+,5+/m1/s1

FORMULA

C5H10O3

Responsive image

Common name

(2R,3R,4S)-2-methyltetrahydrofuran-3,4-diol

IUPAC name

(2R,3R,4S)-2-methyltetrahydrofuran-3,4-diol





Molecular weight

118.131

clogP

-0.186

clogS

0.776

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

49.69

Number of Rings

1

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01417 Cangrelor Responsive image Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic P2Y Receptor Antagonists; For use as an adjunct to percutaneous coronary intervention (PCI) for reducing the risk of periprocedural myocardial infarction (MI), repeat coronary revascularization, and stent thrombosis (ST) in patients in who have not been treated with a P2Y12 platelet inhibitor and are not being given a glycoprotein IIb/IIIa inhibitor.
1 , 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