Common name
3H-pyridin-2-one
IUPAC name
3H-pyridin-2-one
SMILES
O=C1N=CC=CC1
Common name
3H-pyridin-2-one
IUPAC name
3H-pyridin-2-one
SMILES
O=C1N=CC=CC1
INCHI
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-2,4H,3H2
FORMULA
C5H5NO
Common name
3H-pyridin-2-one
IUPAC name
3H-pyridin-2-one
Molecular weight
95.099
clogP
1.589
clogS
-0.415
Frequency
0.0027
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
29.43
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01990 | pyriproxyfen |
|
Insecticide | Insecticide |
| FDBD02265 | fenpirithrin |
|
Insecticide | Insecticide |
| FDBD02345 | pyridalyl |
|
Insecticide | Insecticide |
| FDBD02386 | diflufenican |
|
Herbicide | Herbicide |
| FDBD02391 | flufenican |
|
Herbicide | Herbicide |
| FDBD02646 | fluazifop |
|
Herbicide | Herbicide |
| FDBD02647 | fluazifop-P |
|
Herbicide | Herbicide |
| FDBD02983 | picoxystrobin |
|
Fungicide | Fungicide |
8 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b0b_ligand_1_0.mol2 | 4b0b | 1 | -6.37 | N1=CC=CCC1=O | 7 |
| 2oj9_ligand_frag_0.mol2 | 2oj9 | 1 | -6.31 | C1(=O)N=CC=CC1 | 7 |
| 2vwl_ligand_frag_1.mol2 | 2vwl | 1 | -6.12 | N1=CC=CCC1=O | 7 |
| 2w3k_ligand_frag_5.mol2 | 2w3k | 1 | -6.10 | N1=CC=CCC1=O | 7 |
| 4mib_ligand_frag_6.mol2 | 4mib | 1 | -6.10 | C1C(=O)N=CC=C1 | 7 |
| 2vvc_ligand_frag_1.mol2 | 2vvc | 1 | -6.09 | N1=CC=CCC1=O | 7 |
| 2vwn_ligand_frag_1.mol2 | 2vwn | 1 | -6.09 | N1=CC=CCC1=O | 7 |
| 2xbv_ligand_frag_5.mol2 | 2xbv | 1 | -6.09 | N1=CC=CCC1=O | 7 |
| 2xc4_ligand_frag_5.mol2 | 2xc4 | 1 | -6.09 | N1=CC=CCC1=O | 7 |
| 4ncg_ligand_frag_0.mol2 | 4ncg | 1 | -6.09 | C1=CC=NC(=O)C1 | 7 |
103 ,
11
