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 |
|---|---|---|---|---|---|
| 4tz2_ligand_frag_0.mol2 | 4tz2 | 1 | -6.71 | c1c(cccc1)N | 7 |
| 3fi2_ligand_1_1.mol2 | 3fi2 | 1 | -6.68 | c1cc(ccc1)N | 7 |
| 5ew3_ligand_1_4.mol2 | 5ew3 | 1 | -6.68 | c1ccc(cc1)N | 7 |
| 3max_ligand_frag_0.mol2 | 3max | 1 | -6.67 | Nc1ccccc1 | 7 |
| 3hng_ligand_1_2.mol2 | 3hng | 1 | -6.66 | c1c(cccc1)N | 7 |
| 2ay1_ligand_frag_2.mol2 | 2ay1 | 1 | -6.65 | c1ccc(cc1)N | 7 |
| 1fm9_ligand_1_0.mol2 | 1fm9 | 1 | -6.64 | Nc1ccccc1 | 7 |
| 5alr_ligand_1_0.mol2 | 5alr | 1 | -6.64 | c1ccccc1N | 7 |
542 ,
55
