Common name
N-methylaniline
IUPAC name
N-methylaniline
SMILES
CNc1ccccc1
Common name
N-methylaniline
IUPAC name
N-methylaniline
SMILES
CNc1ccccc1
INCHI
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
FORMULA
C7H9N
Common name
N-methylaniline
IUPAC name
N-methylaniline
Molecular weight
107.153
clogP
1.572
clogS
-2.011
Frequency
0.0076
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02791 | methyldymron |
|
Herbicide | Herbicide |
| FDBD02967 | aureofungin |
|
Fungicide | Fungicide |
22 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pzp_ligand_2_9.mol2 | 1pzp | 1 | -6.35 | N(c1ccccc1)C | 8 |
| 2c5n_ligand_1_3.mol2 | 2c5n | 1 | -6.35 | c1ccc(cc1)N(C)C | 9 |
| 4q6e_ligand_2_7.mol2 | 4q6e | 1 | -6.35 | CNc1ccccc1 | 8 |
| 3d0b_ligand_2_5.mol2 | 3d0b | 1 | -6.34 | CNc1ccccc1 | 8 |
| 4hj2_ligand_2_121.mol2 | 4hj2 | 1 | -6.34 | CNc1ccccc1 | 8 |
| 1ci7_ligand_2_15.mol2 | 1ci7 | 1 | -6.32 | CNc1ccccc1 | 8 |
| 1ci7_ligand_2_8.mol2 | 1ci7 | 1 | -6.30 | CNc1ccccc1 | 8 |
| 1fvv_ligand_2_4.mol2 | 1fvv | 1 | -6.30 | CNc1ccccc1 | 8 |
| 2qk8_ligand_2_6.mol2 | 2qk8 | 1 | -6.29 | N(C)(c1ccccc1)C | 9 |
120 ,
13
