Common name
ethanimine
IUPAC name
ethanimine
SMILES
CC=N
Common name
ethanimine
IUPAC name
ethanimine
SMILES
CC=N
INCHI
InChI=1S/C2H5N/c1-2-3/h2-3H,1H3
FORMULA
C2H5N
Common name
ethanimine
IUPAC name
ethanimine
Molecular weight
43.068
clogP
0.122
clogS
-0.121
Frequency
0.0024
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
23.85
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01881 | butocarboxim |
|
Insecticide | Insecticide |
| FDBD01882 | butoxycarboxim |
|
Insecticide | Insecticide |
| FDBD01883 | methomyl |
|
Insecticide | Insecticide |
| FDBD01887 | thiocarboxime |
|
Insecticide | Insecticide |
| FDBD01888 | thiodicarb |
|
Insecticide | Insecticide |
| FDBD02774 | diflufenzopyr |
|
Herbicide | Herbicide |
| FDBD03047 | triflumizole |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dkt_ligand_frag_9.mol2 | 4dkt | 1 | -5.31 | C(=N)C | 3 |
| 3bv9_ligand_1_0.mol2 | 3bv9 | 1 | -5.28 | C(=[NH2])C | 3 |
| 3b1t_ligand_frag_1.mol2 | 3b1t | 1 | -5.23 | N=CC | 3 |
| 3b1u_ligand_frag_1.mol2 | 3b1u | 1 | -5.18 | N=CC | 3 |
| 4r3b_ligand_1_2.mol2 | 4r3b | 1 | -5.12 | CC=[NH2] | 3 |
| 1ms6_ligand_1_9.mol2 | 1ms6 | 1 | -5.10 | CC=N | 3 |
| 1gmy_ligand_1_0.mol2 | 1gmy | 1 | -5.08 | C(=N)C | 3 |
| 4mzo_ligand_1_3.mol2 | 4mzo | 1 | -5.08 | CC=N | 3 |
| 4mzs_ligand_1_3.mol2 | 4mzs | 1 | -5.07 | N=CC | 3 |
| 3hha_ligand_1_5.mol2 | 3hha | 1 | -5.05 | CC=N | 3 |
101 ,
11
