Common name
N-benzylformamide
IUPAC name
N-benzylformamide
SMILES
c1(ccccc1)CNC=O
Common name
N-benzylformamide
IUPAC name
N-benzylformamide
SMILES
c1(ccccc1)CNC=O
INCHI
InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
FORMULA
C8H9NO
Common name
N-benzylformamide
IUPAC name
N-benzylformamide
Molecular weight
135.163
clogP
1.528
clogS
-2.013
Frequency
0.0038
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fnz_ligand_2_49.mol2 | 4fnz | 1 | -7.03 | C(=O)NCc1ccccc1 | 10 |
| 4jnc_ligand_2_0.mol2 | 4jnc | 1 | -6.96 | c1(ccccc1)CNC=O | 10 |
| 2y1x_ligand_2_9.mol2 | 2y1x | 1 | -6.95 | c1cccc(c1)CNC=O | 10 |
| 4tpt_ligand_2_2.mol2 | 4tpt | 1 | -6.84 | C(=O)N(C)Cc1ccccc1 | 11 |
| 4prg_ligand_3_676.mol2 | 4prg | 1 | -6.80 | C(=O)N(Cc1ccccc1)C | 11 |
| 4m6q_ligand_2_24.mol2 | 4m6q | 1 | -6.79 | c1ccc(cc1)CNC=O | 10 |
| 4l4l_ligand_2_15.mol2 | 4l4l | 1 | -6.75 | c1ccc(cc1)CNC=O | 10 |
| 4o13_ligand_2_12.mol2 | 4o13 | 1 | -6.73 | N(C=O)Cc1ccccc1 | 10 |
| 2hu6_ligand_2_3.mol2 | 2hu6 | 1 | -6.71 | c1(ccccc1)CNC=O | 10 |
| 4r5x_ligand_2_1.mol2 | 4r5x | 1 | -6.70 | N(C=O)Cc1ccccc1 | 10 |
116 ,
12
