Responsive image

Common name

(1S,2S,3S)-3-methoxycyclopentane-1,2-diol

IUPAC name

(1S,2S,3S)-3-methoxycyclopentane-1,2-diol

SMILES

O(C)C1C(C(CC1)O)O

Common name

(1S,2S,3S)-3-methoxycyclopentane-1,2-diol

IUPAC name

(1S,2S,3S)-3-methoxycyclopentane-1,2-diol

SMILES

O(C)C1C(C(CC1)O)O

INCHI

InChI=1S/C6H12O3/c1-9-5-3-2-4(7)6(5)8/h4-8H,2-3H2,1H3/t4-,5-,6-/m0/s1

FORMULA

C6H12O3

Responsive image

Common name

(1S,2S,3S)-3-methoxycyclopentane-1,2-diol

IUPAC name

(1S,2S,3S)-3-methoxycyclopentane-1,2-diol





Molecular weight

132.158

clogP

-0.132

clogS

0.481

Frequency

0.0003





HBond Acceptor

3

HBond Donor

2

Total Polar
Surface Area

49.69

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01529 Ticagrelor Responsive image Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic P2Y Receptor Antagonists; CYP3A4 Inhibitors; For the prevention of thrombotic events (for example stroke or heart attack) in patients with acute coronary syndrome or myocardial infarction with ST elevation.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
5alb_ligand_2_42.mol2 5alb 1 -6.11 O(C)[C@H]1CC[C@@H]([C@@H]1O)O 9
5alc_ligand_2_42.mol2 5alc 1 -5.62 CO[C@H]1CC[C@@H]([C@@H]1O)O 9
4nzo_ligand_5_857.mol2 4nzo 0.84 -5.26 CO[C@H]1CC[C@H]([C@H](O)C1)OC 11
4nzo_ligand_5_873.mol2 4nzo 0.84 -5.26 CO[C@H]1CC[C@H](C[C@H]1O)OC 11
4nzo_ligand_5_757.mol2 4nzo 0.84 -5.24 CO[C@H]1C[C@H](O)[C@H](CC1)OC 11
4nzo_ligand_5_821.mol2 4nzo 0.84 -5.23 CO[C@H]1[C@@H](O)C[C@H](CC1)OC 11
4nzn_ligand_4_498.mol2 4nzn 0.8 -5.37 O(C)[C@H]1C[C@@H](CC[C@H]1O)O 10
4nzo_ligand_4_323.mol2 4nzo 0.8 -5.35 O[C@H]1CC[C@H]([C@H](O)C1)OC 10
4nzo_ligand_4_332.mol2 4nzo 0.8 -5.35 O[C@H]1CC[C@H](C[C@H]1O)OC 10
4nzo_ligand_4_291.mol2 4nzo 0.8 -5.34 O[C@H]1CC[C@H](O)[C@H](C1)OC 10
270 , 28