Common name
methylurea
IUPAC name
methylurea
SMILES
O=C(NC)N
Common name
methylurea
IUPAC name
methylurea
SMILES
O=C(NC)N
INCHI
InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
FORMULA
C2H6N2O
Common name
methylurea
IUPAC name
methylurea
Molecular weight
74.082
clogP
-1.216
clogS
0.225
Frequency
0.0065
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
55.12
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02771 | cumyluron |
|
Herbicide | Herbicide |
| FDBD02778 | buturon |
|
Herbicide | Herbicide |
| FDBD02779 | chlorbromuron |
|
Herbicide | Herbicide |
| FDBD02790 | linuron |
|
Herbicide | Herbicide |
| FDBD02792 | metobenzuron |
|
Herbicide | Herbicide |
| FDBD02793 | metobromuron |
|
Herbicide | Herbicide |
| FDBD02795 | monolinuron |
|
Herbicide | Herbicide |
| FDBD02797 | neburon |
|
Herbicide | Herbicide |
| FDBD02835 | tribenuron |
|
Herbicide | Herbicide |
19 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zd3_ligand_1_1.mol2 | 1zd3 | 1 | -5.79 | CNC(=O)N | 5 |
| 1zd4_ligand_1_1.mol2 | 1zd4 | 1 | -5.74 | NC(=O)NC | 5 |
| 5akz_ligand_frag_0.mol2 | 5akz | 1 | -5.73 | CNC(=O)N | 5 |
| 1zd5_ligand_1_1.mol2 | 1zd5 | 1 | -5.67 | NC(=O)NC | 5 |
| 2yix_ligand_1_1.mol2 | 2yix | 1 | -5.62 | NC(=O)NC | 5 |
| 5bvk_ligand_1_2.mol2 | 5bvk | 1 | -5.58 | CNC(=O)N | 5 |
| 3ipu_ligand_1_6.mol2 | 3ipu | 1 | -5.57 | N(C(=O)N)(C)C | 6 |
| 4uib_ligand_1_0.mol2 | 4uib | 1 | -5.57 | CNC(=O)N | 5 |
| 5bvn_ligand_1_1.mol2 | 5bvn | 1 | -5.57 | CNC(=O)N | 5 |
120 ,
13
