Common name
N-methylformamide
IUPAC name
N-methylformamide
SMILES
N(C=O)C
Common name
N-methylformamide
IUPAC name
N-methylformamide
SMILES
N(C=O)C
INCHI
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
FORMULA
C2H5NO
Common name
N-methylformamide
IUPAC name
N-methylformamide
Molecular weight
59.067
clogP
-0.501
clogS
-0.090
Frequency
0.0106
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
| FDBD02412 | dimethachlor |
|
Herbicide | Herbicide |
| FDBD02413 | ethachlor |
|
Herbicide | Herbicide |
| FDBD02415 | metazachlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
| FDBD02420 | propisochlor |
|
Herbicide | Herbicide |
| FDBD02422 | terbuchlor |
|
Herbicide | Herbicide |
| FDBD02423 | thenylchlor |
|
Herbicide | Herbicide |
| FDBD02476 | benzthiazuron |
|
Herbicide | Herbicide |
| FDBD02478 | methabenzthiazuron |
|
Herbicide | Herbicide |
31 ,
4
| 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
