Common name
N-(2,6-diethylphenyl)formamide
IUPAC name
N-(2,6-diethylphenyl)formamide
SMILES
c1(c(c(ccc1)CC)NC=O)CC
Common name
N-(2,6-diethylphenyl)formamide
IUPAC name
N-(2,6-diethylphenyl)formamide
SMILES
c1(c(c(ccc1)CC)NC=O)CC
INCHI
InChI=1S/C11H15NO/c1-3-9-6-5-7-10(4-2)11(9)12-8-13/h5-8H,3-4H2,1-2H3,(H,12,13)
FORMULA
C11H15NO
Common name
N-(2,6-diethylphenyl)formamide
IUPAC name
N-(2,6-diethylphenyl)formamide
Molecular weight
177.243
clogP
2.843
clogS
-3.525
Frequency
0.0017
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02408 | amidochlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02418 | pretilachlor |
|
Herbicide | Herbicide |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4j4o_ligand_2_4.mol2 | 4j4o | 0.909091 | -6.84 | c1(ccccc1CC)NC=O | 11 |
| 4j4n_ligand_2_4.mol2 | 4j4n | 0.909091 | -6.03 | O=CNc1ccccc1CC | 11 |
| 4j4o_ligand_3_0.mol2 | 4j4o | 0.784314 | -7.26 | c1(ccccc1CC)NC(=O)C | 12 |
| 4j4n_ligand_3_0.mol2 | 4j4n | 0.784314 | -6.47 | O=C(Nc1ccccc1CC)C | 12 |
| 3n3j_ligand_2_5.mol2 | 3n3j | 0.784314 | -6.17 | NC(=O)Nc1c(cccc1)C(C)C | 13 |
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.727273 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.727273 | -6.90 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_2.mol2 | 2nyr | 0.727273 | -6.83 | N(C=O)c1ccccc1C | 10 |
| 4x3u_ligand_1_2.mol2 | 4x3u | 0.727273 | -6.70 | c1cc(c(cc1)C)NC=O | 10 |
| 4x3u_ligand_1_7.mol2 | 4x3u | 0.727273 | -6.70 | c1(ccccc1C)NC=O | 10 |
100 ,
11
