Common name
aniline
IUPAC name
aniline
SMILES
Nc1ccccc1
Common name
aniline
IUPAC name
aniline
SMILES
Nc1ccccc1
INCHI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
FORMULA
C6H7N
Common name
aniline
IUPAC name
aniline
Molecular weight
93.126
clogP
1.260
clogS
-1.189
Frequency
0.0247
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01816 | Propoxycaine |
|
Anesthetics, Local; | |
| FDBD02341 | metaflumizone |
|
Insecticide | Insecticide |
| FDBD02434 | asulam |
|
Herbicide | Herbicide |
| FDBD02441 | cambendichlor |
|
Herbicide | Herbicide |
| FDBD02690 | pyribambenz-isopropyl |
|
Herbicide | Herbicide |
| FDBD02691 | pyribambenz-propyl |
|
Herbicide | Herbicide |
| FDBD03033 | diphenylamine |
|
Fungicide | Fungicide |
| FDBD03084 | famoxadone |
|
Fungicide | Fungicide |
| FDBD03127 | fenamidone |
|
Fungicide | Fungicide |
| FDBD03204 | cyprodinil |
|
Fungicide | Fungicide |
72 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fui_ligand_1_3.mol2 | 3fui | 1 | -6.80 | c1ccc(cc1)N | 7 |
| 4l02_ligand_1_2.mol2 | 4l02 | 1 | -6.77 | Nc1ccccc1 | 7 |
| 4o2a_ligand_frag_2.mol2 | 4o2a | 1 | -6.76 | c1(ccccc1)N | 7 |
| 3ftw_ligand_1_0.mol2 | 3ftw | 1 | -6.75 | c1ccccc1N | 7 |
| 2vba_ligand_1_1.mol2 | 2vba | 1 | -6.74 | c1(ccccc1)N | 7 |
| 3ftv_ligand_1_0.mol2 | 3ftv | 1 | -6.74 | c1ccccc1N | 7 |
| 3ftz_ligand_frag_0.mol2 | 3ftz | 1 | -6.74 | Nc1ccccc1 | 7 |
| 1cx9_ligand_frag_0.mol2 | 1cx9 | 1 | -6.72 | c1cc(ccc1)N | 7 |
| 2hz0_ligand_1_6.mol2 | 2hz0 | 1 | -6.72 | c1ccccc1N | 7 |
| 4p72_ligand_1_3.mol2 | 4p72 | 1 | -6.71 | Nc1ccccc1 | 7 |
542 ,
55
