Common name
N-formyl-N-methylformamide
IUPAC name
N-formyl-N-methylformamide
SMILES
CN(C=O)C=O
Common name
N-formyl-N-methylformamide
IUPAC name
N-formyl-N-methylformamide
SMILES
CN(C=O)C=O
INCHI
InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3
FORMULA
C3H5NO2
Common name
N-formyl-N-methylformamide
IUPAC name
N-formyl-N-methylformamide
Molecular weight
87.077
clogP
-0.786
clogS
0.603
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
37.38
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02113 | formothion |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i72_ligand_1_0.mol2 | 2i72 | 1 | -5.10 | O=CN(C=O)C | 6 |
| 2i72_ligand_frag_0.mol2 | 2i72 | 1 | -5.00 | O=CNC=O | 5 |
| 1oth_ligand_1_3.mol2 | 1oth | 0.833333 | -5.63 | CNC=O | 4 |
| 2h3e_ligand_1_2.mol2 | 2h3e | 0.833333 | -5.63 | C(=O)NC | 4 |
| 4m3b_ligand_1_2.mol2 | 4m3b | 0.833333 | -5.61 | CNC=O | 4 |
| 3i1y_ligand_1_3.mol2 | 3i1y | 0.833333 | -5.59 | CNC=O | 4 |
| 4imz_ligand_frag_11.mol2 | 4imz | 0.833333 | -5.59 | C(=O)N(C)C | 5 |
| 4inh_ligand_frag_9.mol2 | 4inh | 0.833333 | -5.59 | C(=O)N(C)C | 5 |
| 5abh_ligand_frag_6.mol2 | 5abh | 0.833333 | -5.59 | C(=O)NC | 4 |
2390 ,
240
