Common name
(Z)-N-methyl-2-nitroethenamine
IUPAC name
(Z)-N-methyl-2-nitroethenamine
SMILES
C(=C\N(=O)=O)\NC
Common name
(Z)-N-methyl-2-nitroethenamine
IUPAC name
(Z)-N-methyl-2-nitroethenamine
SMILES
C(=C\N(=O)=O)\NC
INCHI
InChI=1S/C3H6N2O2/c1-4-2-3-5(6)7/h2-4H,1H3/b3-2-
FORMULA
C3H6N2O2
Common name
(Z)-N-methyl-2-nitroethenamine
IUPAC name
(Z)-N-methyl-2-nitroethenamine
Molecular weight
102.092
clogP
-1.616
clogS
-0.193
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
46.17
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02025 | nitenpyram |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wtj_ligand_3_0.mol2 | 2wtj | 0.35 | -5.60 | N(C=O)/C=C/N(C)C | 8 |
| 3fx6_ligand_frag_4.mol2 | 3fx6 | 0.307692 | -5.35 | CN(=O)=O | 4 |
| 4k43_ligand_frag_0.mol2 | 4k43 | 0.294118 | -5.60 | O=CN(C=C)C | 6 |
| 4dgr_ligand_4_91.mol2 | 4dgr | 0.294118 | -5.55 | N(C)(C)/C=C/C | 6 |
| 4dgr_ligand_3_50.mol2 | 4dgr | 0.294118 | -5.49 | N(C)/C=C/C | 5 |
| 4y6m_ligand_frag_0.mol2 | 4y6m | 0.294118 | -5.49 | O=CNC=C | 5 |
| 4dgr_ligand_3_64.mol2 | 4dgr | 0.294118 | -5.45 | N(C)/C=C/C | 5 |
| 5tln_ligand_1_4.mol2 | 5tln | 0.294118 | -5.44 | C(=C)NC=O | 5 |
101 ,
11
