Common name
phenyldiazene
IUPAC name
phenyldiazene
SMILES
N(=N)c1ccccc1
Common name
phenyldiazene
IUPAC name
phenyldiazene
SMILES
N(=N)c1ccccc1
INCHI
InChI=1S/C6H6N2/c7-8-6-4-2-1-3-5-6/h1-5,7H
FORMULA
C6H6N2
Common name
phenyldiazene
IUPAC name
phenyldiazene
Molecular weight
106.125
clogP
2.042
clogS
-1.667
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
36.21
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03248 | fenaminosulf |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4q6d_ligand_1_1.mol2 | 4q6d | 1 | -6.32 | N(=N)c1ccccc1 | 8 |
| 4ez3_ligand_1_1.mol2 | 4ez3 | 1 | -6.26 | N=Nc1ccccc1 | 8 |
| 4nue_ligand_1_2.mol2 | 4nue | 1 | -6.07 | c1cccc(c1)N=N | 8 |
| 4nuc_ligand_1_1.mol2 | 4nuc | 1 | -6.00 | c1(ccccc1)N=N | 8 |
| 4nud_ligand_1_1.mol2 | 4nud | 1 | -5.84 | N=Nc1ccccc1 | 8 |
| 2wi4_ligand_1_2.mol2 | 2wi4 | 1 | -5.73 | N=Nc1ccccc1 | 8 |
| 2clx_ligand_1_0.mol2 | 2clx | 0.692308 | -6.56 | N(=N)c1ccc(cc1)O | 9 |
| 3fui_ligand_1_3.mol2 | 3fui | 0.666667 | -6.80 | c1ccc(cc1)N | 7 |
551 ,
56
