Common name
5H-pyrimidine-2,4-dione
IUPAC name
5H-pyrimidine-2,4-dione
SMILES
O=C1N=CCC(=O)N1
Common name
5H-pyrimidine-2,4-dione
IUPAC name
5H-pyrimidine-2,4-dione
SMILES
O=C1N=CCC(=O)N1
INCHI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h2H,1H2,(H,6,7,8)
FORMULA
C4H4N2O2
Common name
5H-pyrimidine-2,4-dione
IUPAC name
5H-pyrimidine-2,4-dione
Molecular weight
112.087
clogP
0.854
clogS
-0.573
Frequency
0.0017
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
58.53
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00309 | Trifluridine |
|
Antineoplastic Agents; Antiviral Agents; Antimetabolites; Antineoplastic and Immunomodulating Agents; Ophthalmologicals; Sensory Organs; Antiinfectives; Pyrimidine Analogues; | Ophthalmic solution for the treatment of primay keratoconjunctivitis and recurrent epithelial keratitis due to herpes simplex virus, types 1 and 2. |
| FDBD00653 | Uracil mustard |
|
Antineoplastic Agents, Alkylating; | Used for its antineoplastic properties. |
| FDBD01584 | Sofosbuvir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | Sofosbuvir is used in combination therapy to treat chronic hepatitis C virus (HCV) infected patients with HCV genoptype 1,2,3, or 4, and to treat HCV and HIV co-infected patients. The combination therapy includes either ribavirin alone or ribavirin and peg-interferon alfa. |
| FDBD01711 | Uridine triacetate |
|
; | For the treatment of hereditary orotic aciduria. |
| FDBD01731 | Dasabuvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | Dasabuvir, in combination with ombitasvir, paritaprevir, and ritonavir (as Viekira Pak) is indicated for the treatment of patients with genotype 1 chronic hepatitis C virus (HCV) infection including those with compensated cirrhosis. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ctu_ligand_frag_0.mol2 | 1ctu | 1 | -6.57 | N1=CCC(=O)NC1=O | 8 |
| 2z3h_ligand_frag_7.mol2 | 2z3h | 1 | -6.45 | N1=CCC(=O)NC1=O | 8 |
| 3fcl_ligand_frag_7.mol2 | 3fcl | 1 | -6.45 | C1=NC(=O)NC(=O)C1 | 8 |
| 2yay_ligand_frag_0.mol2 | 2yay | 1 | -6.42 | C1(=O)CC=NC(=O)N1 | 8 |
| 2yaz_ligand_frag_0.mol2 | 2yaz | 1 | -6.39 | N1=CCC(=O)NC1=O | 8 |
| 2yb0_ligand_frag_0.mol2 | 2yb0 | 1 | -6.39 | N1=CCC(=O)NC1=O | 8 |
| 1mrs_ligand_frag_4.mol2 | 1mrs | 1 | -6.38 | N1=CCC(=O)NC1=O | 8 |
| 3ehw_ligand_frag_0.mol2 | 3ehw | 1 | -6.29 | O=C1CC=NC(=O)N1 | 8 |
100 ,
11
