Common name
N-phenylformamide
IUPAC name
N-phenylformamide
SMILES
c1(ccccc1)NC=O
Common name
N-phenylformamide
IUPAC name
N-phenylformamide
SMILES
c1(ccccc1)NC=O
INCHI
InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
FORMULA
C7H7NO
Common name
N-phenylformamide
IUPAC name
N-phenylformamide
Molecular weight
121.137
clogP
1.220
clogS
-1.593
Frequency
0.0058
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02421 | prynachlor |
|
Herbicide | Herbicide |
| FDBD02480 | chlorprocarb |
|
Herbicide | Herbicide |
| FDBD02482 | karbutilate |
|
Herbicide | Herbicide |
| FDBD02492 | phenisopham |
|
Herbicide | Herbicide |
| FDBD02493 | phenmedipham |
|
Herbicide | Herbicide |
| FDBD02802 | thidiazuron |
|
Herbicide | Herbicide |
| FDBD02811 | foramsulfuron |
|
Herbicide | Herbicide |
17 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i80_ligand_1_1.mol2 | 2i80 | 1 | -7.09 | N(C=O)c1ccccc1 | 9 |
| 3chs_ligand_1_3.mol2 | 3chs | 1 | -7.02 | O=CNc1ccccc1 | 9 |
| 4yv0_ligand_1_0.mol2 | 4yv0 | 1 | -7.00 | C(=O)N(C)c1ccccc1 | 10 |
| 3chp_ligand_1_0.mol2 | 3chp | 1 | -6.98 | C(=O)Nc1ccccc1 | 9 |
| 3chr_ligand_1_3.mol2 | 3chr | 1 | -6.96 | C(=O)Nc1ccccc1 | 9 |
| 3cho_ligand_1_3.mol2 | 3cho | 1 | -6.92 | N(C=O)c1ccccc1 | 9 |
| 3chq_ligand_1_3.mol2 | 3chq | 1 | -6.92 | N(C=O)c1ccccc1 | 9 |
| 3n86_ligand_1_3.mol2 | 3n86 | 1 | -6.90 | O=CNc1ccccc1 | 9 |
| 5ajw_ligand_1_1.mol2 | 5ajw | 1 | -6.89 | c1(ccccc1)NC=O | 9 |
212 ,
22
