Common name
N-(hydroxymethyl)-N-phenylformamide
IUPAC name
N-(hydroxymethyl)-N-phenylformamide
SMILES
OCN(C=O)c1ccccc1
Common name
N-(hydroxymethyl)-N-phenylformamide
IUPAC name
N-(hydroxymethyl)-N-phenylformamide
SMILES
OCN(C=O)c1ccccc1
INCHI
InChI=1S/C8H9NO2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-6,11H,7H2
FORMULA
C8H9NO2
Common name
N-(hydroxymethyl)-N-phenylformamide
IUPAC name
N-(hydroxymethyl)-N-phenylformamide
Molecular weight
151.163
clogP
0.465
clogS
-0.737
Frequency
0.0010
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
40.54
Number of Rings
1
Rotatable Bond
3
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4r1y_ligand_1_3.mol2 | 4r1y | 0.935484 | -6.96 | c1(ccccc1)NC(=O)O | 10 |
| 1ur9_ligand_1_6.mol2 | 1ur9 | 0.935484 | -6.51 | c1(ccccc1)NC(=O)O | 10 |
| 4azi_ligand_1_3.mol2 | 4azi | 0.935484 | -6.46 | O=C(O)Nc1ccccc1 | 10 |
| 4az6_ligand_1_3.mol2 | 4az6 | 0.935484 | -6.40 | O=C(O)Nc1ccccc1 | 10 |
| 4azg_ligand_1_3.mol2 | 4azg | 0.935484 | -6.39 | O=C(O)Nc1ccccc1 | 10 |
| 4azb_ligand_1_3.mol2 | 4azb | 0.935484 | -6.16 | c1(ccccc1)NC(=O)O | 10 |
| 2ofu_ligand_1_3.mol2 | 2ofu | 0.935484 | -6.02 | c1(ccccc1)NC(=O)O | 10 |
| 2vcb_ligand_1_3.mol2 | 2vcb | 0.935484 | -6.01 | c1(ccccc1)NC(=O)O | 10 |
| 2vvs_ligand_1_3.mol2 | 2vvs | 0.935484 | -5.91 | OC(=O)Nc1ccccc1 | 10 |
235 ,
24
