Responsive image

Common name

(6R)-6-ethyltetrahydropyran-2,4-dione

IUPAC name

(6R)-6-ethyltetrahydropyran-2,4-dione

SMILES

C(C)C1OC(=O)CC(=O)C1

Common name

(6R)-6-ethyltetrahydropyran-2,4-dione

IUPAC name

(6R)-6-ethyltetrahydropyran-2,4-dione

SMILES

C(C)C1OC(=O)CC(=O)C1

INCHI

InChI=1S/C7H10O3/c1-2-6-3-5(8)4-7(9)10-6/h6H,2-4H2,1H3/t6-/m1/s1

FORMULA

C7H10O3

Responsive image

Common name

(6R)-6-ethyltetrahydropyran-2,4-dione

IUPAC name

(6R)-6-ethyltetrahydropyran-2,4-dione





Molecular weight

142.152

clogP

1.526

clogS

-1.322

Frequency

0.0003





HBond Acceptor

3

HBond Donor

0

Total Polar
Surface Area

43.37

Number of Rings

1

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00787 Tipranavir Responsive image Anti-HIV Agents; Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1d4y_ligand_4_120.mol2 1d4y 0.809524 -6.88 CC[C@]1(OC(=O)C[C@H](C1)O)CCC 13
1d4y_ligand_3_45.mol2 1d4y 0.809524 -6.75 C(C)C[C@]1(C)OC(=O)C[C@H](C1)O 12
1d4y_ligand_3_46.mol2 1d4y 0.809524 -6.59 CC[C@]1(OC(=O)C[C@H](C1)O)C 11
1d4y_ligand_2_19.mol2 1d4y 0.809524 -6.43 C(C)C[C@@H]1OC(=O)C[C@H](C1)O 11
1d4y_ligand_2_12.mol2 1d4y 0.809524 -6.28 CC[C@H]1OC(=O)C[C@H](C1)O 10
1d4y_ligand_5_0.mol2 1d4y 0.790698 -7.17 C[C@@H]1[C@H](C[C@@](CC)(OC1=O)CCC)O 14
1d4y_ligand_5_9.mol2 1d4y 0.790698 -7.13 C(CC)[C@@H]1[C@H](C[C@@](CC)(OC1=O)C)O 14
1d4y_ligand_4_0.mol2 1d4y 0.790698 -7.04 C[C@@H]1[C@H](C[C@@](C)(OC1=O)CCC)O 13
1d4y_ligand_4_4.mol2 1d4y 0.790698 -7.00 C(CC)[C@@H]1[C@H](CC(C)(OC1=O)C)O 13
102 , 11