Common name
1-methyl-3-phenylurea
IUPAC name
1-methyl-3-phenylurea
SMILES
N(C(=O)NC)c1ccccc1
Common name
1-methyl-3-phenylurea
IUPAC name
1-methyl-3-phenylurea
SMILES
N(C(=O)NC)c1ccccc1
INCHI
InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
FORMULA
C8H10N2O
Common name
1-methyl-3-phenylurea
IUPAC name
1-methyl-3-phenylurea
Molecular weight
150.178
clogP
0.584
clogS
-2.061
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
41.13
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02792 | metobenzuron |
|
Herbicide | Herbicide |
| FDBD03236 | pencycuron |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mw5_ligand_2_20.mol2 | 4mw5 | 1 | -7.20 | CNC(=O)Nc1ccccc1 | 11 |
| 4mvx_ligand_2_11.mol2 | 4mvx | 1 | -7.18 | c1ccc(cc1)NC(=O)NC | 11 |
| 4jnm_ligand_2_8.mol2 | 4jnm | 1 | -7.03 | c1ccc(cc1)NC(=O)NC | 11 |
| 4ekg_ligand_2_8.mol2 | 4ekg | 1 | -6.98 | N(C(=O)NC)c1ccccc1 | 11 |
| 4eki_ligand_2_9.mol2 | 4eki | 1 | -6.96 | N(C(=O)NC)c1ccccc1 | 11 |
| 4pmp_ligand_2_17.mol2 | 4pmp | 1 | -6.94 | CNC(=O)Nc1ccccc1 | 11 |
| 4wvl_ligand_2_1.mol2 | 4wvl | 1 | -6.75 | O=C(Nc1ccccc1)NC | 11 |
| 4wgi_ligand_2_3.mol2 | 4wgi | 1 | -6.59 | CN(C(=O)Nc1ccccc1)C | 12 |
| 4wgi_ligand_1_0.mol2 | 4wgi | 1 | -6.57 | c1(ccccc1)NC(=O)NC | 11 |
| 4mx1_ligand_2_8.mol2 | 4mx1 | 1 | -6.46 | O=C(NC)Nc1ccccc1 | 11 |
107 ,
11
