Common name
N-phenylaniline
IUPAC name
N-phenylaniline
SMILES
c1(ccccc1)Nc2ccccc2
Common name
N-phenylaniline
IUPAC name
N-phenylaniline
SMILES
c1(ccccc1)Nc2ccccc2
INCHI
InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
FORMULA
C12H11N
Common name
N-phenylaniline
IUPAC name
N-phenylaniline
Molecular weight
169.222
clogP
2.788
clogS
-3.446
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01608 | Etofenamate |
|
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pzp_ligand_2_0.mol2 | 1pzp | 1 | -7.84 | c1(ccccc1)Nc1ccccc1 | 13 |
| 1pzp_ligand_4_0.mol2 | 1pzp | 0.913043 | -7.92 | c1(ccccc1)Nc1ccc(NC)cc1 | 15 |
| 1pzp_ligand_3_0.mol2 | 1pzp | 0.913043 | -7.86 | c1(ccccc1)Nc1ccc(N)cc1 | 14 |
| 4k3h_ligand_1_3.mol2 | 4k3h | 0.809524 | -7.00 | c1ccc(cc1)N(C)C | 9 |
| 3fui_ligand_2_12.mol2 | 3fui | 0.809524 | -6.99 | c1ccc(cc1)NC | 8 |
| 4k3h_ligand_1_4.mol2 | 4k3h | 0.809524 | -6.96 | c1ccc(cc1)N(C)C | 9 |
| 3ftw_ligand_2_1.mol2 | 3ftw | 0.809524 | -6.93 | c1ccccc1NC | 8 |
| 3ftv_ligand_2_1.mol2 | 3ftv | 0.809524 | -6.92 | c1ccccc1NC | 8 |
125 ,
13
