Common name
N-(dimethylcarbamoyl)formamide
IUPAC name
N-(dimethylcarbamoyl)formamide
SMILES
CN(C(=O)NC=O)C
Common name
N-(dimethylcarbamoyl)formamide
IUPAC name
N-(dimethylcarbamoyl)formamide
SMILES
CN(C(=O)NC=O)C
INCHI
InChI=1S/C4H8N2O2/c1-6(2)4(8)5-3-7/h3H,1-2H3,(H,5,7,8)
FORMULA
C4H8N2O2
Common name
N-(dimethylcarbamoyl)formamide
IUPAC name
N-(dimethylcarbamoyl)formamide
Molecular weight
116.119
clogP
-1.260
clogS
0.114
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
49.41
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02777 | anisuron |
|
Herbicide | Herbicide |
| FDBD02799 | phenobenzuron |
|
Herbicide | Herbicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3k3g_ligand_frag_0.mol2 | 3k3g | 0.727273 | -5.92 | N(C(=O)NC)C | 6 |
| 3k3g_ligand.mol2 | 3k3g | 0.727273 | -5.92 | N(C)C(=O)NC | 7 |
| 4x6n_ligand_2_15.mol2 | 4x6n | 0.727273 | -5.67 | C(=O)(NC)NC | 6 |
| 4x6m_ligand_2_19.mol2 | 4x6m | 0.727273 | -5.65 | CNC(=O)NC | 6 |
| 2fw3_ligand_2_32.mol2 | 2fw3 | 0.727273 | -5.45 | CNC(=O)NC | 6 |
| 2fle_ligand_2_168.mol2 | 2fle | 0.727273 | -5.40 | CNC(=O)N(C)C | 7 |
| 2fle_ligand_2_80.mol2 | 2fle | 0.727273 | -5.40 | CNC(=O)N(C)C | 7 |
169 ,
17
