Common name
(1E)-N-[4-(dimethylcarbamoyl)phenyl]methanimidic acid
IUPAC name
(1E)-N-[4-(dimethylcarbamoyl)phenyl]methanimidic acid
SMILES
N(=C\O)/c1ccc(cc1)C(=O)N(C)C
Common name
(1E)-N-[4-(dimethylcarbamoyl)phenyl]methanimidic acid
IUPAC name
(1E)-N-[4-(dimethylcarbamoyl)phenyl]methanimidic acid
SMILES
N(=C\O)/c1ccc(cc1)C(=O)N(C)C
INCHI
InChI=1S/C10H12N2O2/c1-12(2)10(14)8-3-5-9(6-4-8)11-7-13/h3-7H,1-2H3,(H,11,13)
FORMULA
C10H12N2O2
Common name
(1E)-N-[4-(dimethylcarbamoyl)phenyl]methanimidic acid
IUPAC name
(1E)-N-[4-(dimethylcarbamoyl)phenyl]methanimidic acid
Molecular weight
192.214
clogP
1.162
clogS
-1.373
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total Polar
Surface Area
52.9
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02811 | foramsulfuron |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lf2_ligand_2_70.mol2 | 1lf2 | 0.74 | -6.69 | CNC(=O)c1ccc(cc1)N | 11 |
| 2vgp_ligand_2_2.mol2 | 2vgp | 0.74 | -6.50 | Nc1ccc(C(=O)NC)cc1 | 11 |
| 4bb4_ligand_3_2.mol2 | 4bb4 | 0.74 | -6.39 | c1(ccc(cc1)N)C(=O)NC | 11 |
| 1rww_ligand_3_52.mol2 | 1rww | 0.74 | -6.19 | Nc1ccc(cc1)C(=O)NC | 11 |
| 4r7m_ligand_2_0.mol2 | 4r7m | 0.74 | -6.06 | C(=O)(NC)c1ccc(cc1)N | 11 |
| 1lf2_ligand_3_268.mol2 | 1lf2 | 0.685185 | -6.95 | C(C)NC(=O)c1ccc(cc1)N | 12 |
| 1lf2_ligand_3_277.mol2 | 1lf2 | 0.685185 | -6.91 | C(C)NC(=O)c1ccc(cc1)N | 12 |
| 4bb4_ligand_4_1.mol2 | 4bb4 | 0.685185 | -6.46 | c1(ccc(cc1)N)C(=O)NCC | 12 |
| 1lf2_ligand_4_701.mol2 | 1lf2 | 0.672727 | -7.26 | C(C)(C)NC(=O)c1ccc(cc1)N | 13 |
| 2oym_ligand_3_0.mol2 | 2oym | 0.672727 | -6.96 | CNC(=O)c1ccc(N(C)C)cc1 | 13 |
204 ,
21
