Common name
1-phenylpyrimidine-2,4-dione
IUPAC name
1-phenylpyrimidine-2,4-dione
SMILES
c1cccc(c1)n2c(=O)[nH]c(=O)cc2
Common name
1-phenylpyrimidine-2,4-dione
IUPAC name
1-phenylpyrimidine-2,4-dione
SMILES
c1cccc(c1)n2c(=O)[nH]c(=O)cc2
INCHI
InChI=1S/C10H8N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-7H,(H,11,13,14)
FORMULA
C10H8N2O2
Common name
1-phenylpyrimidine-2,4-dione
IUPAC name
1-phenylpyrimidine-2,4-dione
Molecular weight
188.183
clogP
-2.086
clogS
-1.449
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.17
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h06_ligand_1_4.mol2 | 3h06 | 0.655172 | -5.87 | C1(=O)[N+](C=CC(=O)[NH+]1)C | 9 |
| 3h06_ligand_2_6.mol2 | 3h06 | 0.647727 | -5.96 | C1(=O)[N+](C=CC(=O)[N+]1C)C | 10 |
| 1ctt_ligand_frag_0.mol2 | 1ctt | 0.54023 | -6.36 | N1C(=O)NCC=C1 | 7 |
| 4mw5_ligand_4_34.mol2 | 4mw5 | 0.43956 | -7.50 | CCCNC(=O)Nc1ccccc1 | 13 |
| 4ekg_ligand_4_56.mol2 | 4ekg | 0.43956 | -7.33 | N(C(=O)NCCC)c1ccccc1 | 13 |
| 4eki_ligand_4_84.mol2 | 4eki | 0.43956 | -7.28 | N(C(=O)NCCC)c1ccccc1 | 13 |
| 4wvl_ligand_4_91.mol2 | 4wvl | 0.43956 | -6.95 | O=C(Nc1ccccc1)NCCC | 13 |
| 4ngs_ligand_4_6.mol2 | 4ngs | 0.43956 | -6.79 | O=C(NCCC)Nc1ccccc1 | 13 |
| 3cth_ligand_2_6.mol2 | 3cth | 0.438776 | -7.60 | C(=O)(NC(=O)Nc1cccc(c1)F)C | 14 |
105 ,
11
