Common name
(1Z)-N-(methoxymethyl)methanimidic acid
IUPAC name
(1Z)-N-(methoxymethyl)methanimidic acid
SMILES
COCNC=O
Common name
(1Z)-N-(methoxymethyl)methanimidic acid
IUPAC name
(1Z)-N-(methoxymethyl)methanimidic acid
SMILES
COCNC=O
INCHI
InChI=1S/C3H7NO2/c1-6-3-4-2-5/h2H,3H2,1H3,(H,4,5)
FORMULA
C3H7NO2
Common name
(1Z)-N-(methoxymethyl)methanimidic acid
IUPAC name
(1Z)-N-(methoxymethyl)methanimidic acid
Molecular weight
89.093
clogP
-0.022
clogS
0.169
Frequency
0.0017
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
41.82
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
| FDBD02422 | terbuchlor |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nrb_ligand_frag_0.mol2 | 4nrb | 0.461538 | -5.35 | C/N=C\O | 4 |
| 1rm8_ligand_1_10.mol2 | 1rm8 | 0.461538 | -5.26 | C(=N\C)\O | 4 |
| 1w6h_ligand_1_5.mol2 | 1w6h | 0.461538 | -5.26 | N(=C\O)\C | 4 |
| 3hd3_ligand_1_5.mol2 | 3hd3 | 0.461538 | -5.22 | N(=C\O)\C | 4 |
| 4ps0_ligand_1_12.mol2 | 4ps0 | 0.461538 | -5.21 | C/N=C\O | 4 |
| 1rm8_ligand_frag_9.mol2 | 1rm8 | 0.461538 | -5.20 | C(=N\C)\O | 4 |
| 1bmm_ligand_1_5.mol2 | 1bmm | 0.461538 | -5.19 | N(=C\O)\C | 4 |
| 2nmy_ligand_1_1.mol2 | 2nmy | 0.461538 | -5.19 | C/N=C\O | 4 |
| 2zu4_ligand_1_7.mol2 | 2zu4 | 0.461538 | -5.19 | C/N=C\O | 4 |
235 ,
24
