Common name
N,N-dimethylformamide
IUPAC name
N,N-dimethylformamide
SMILES
O=CN(C)C
Common name
N,N-dimethylformamide
IUPAC name
N,N-dimethylformamide
SMILES
O=CN(C)C
INCHI
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
FORMULA
C3H7NO
Common name
N,N-dimethylformamide
IUPAC name
N,N-dimethylformamide
Molecular weight
73.094
clogP
-0.682
clogS
0.197
Frequency
0.0041
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02817 | orthosulfamuron |
|
Herbicide | Herbicide |
| FDBD02955 | tioxymid |
|
Fungicide | Fungicide |
12 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_1_3.mol2 | 1oth | 1 | -5.63 | CNC=O | 4 |
| 2h3e_ligand_1_2.mol2 | 2h3e | 1 | -5.63 | C(=O)NC | 4 |
| 4m3b_ligand_1_2.mol2 | 4m3b | 1 | -5.61 | CNC=O | 4 |
| 3i1y_ligand_1_3.mol2 | 3i1y | 1 | -5.59 | CNC=O | 4 |
| 4imz_ligand_frag_11.mol2 | 4imz | 1 | -5.59 | C(=O)N(C)C | 5 |
| 4inh_ligand_frag_9.mol2 | 4inh | 1 | -5.59 | C(=O)N(C)C | 5 |
| 5abh_ligand_frag_6.mol2 | 5abh | 1 | -5.59 | C(=O)NC | 4 |
| 4m3d_ligand_1_5.mol2 | 4m3d | 1 | -5.58 | C(=O)NC | 4 |
| 5abe_ligand_frag_0.mol2 | 5abe | 1 | -5.58 | O=CNC | 4 |
| 1qf1_ligand_1_5.mol2 | 1qf1 | 1 | -5.57 | C(=O)NC | 4 |
2387 ,
239
