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 |
|---|---|---|---|---|---|
| 2p2i_ligand_1_0.mol2 | 2p2i | 0.766667 | -6.73 | c1cc(ccc1)NC=O | 9 |
| 2p4i_ligand_1_2.mol2 | 2p4i | 0.766667 | -6.73 | N(C=O)c1ccccc1 | 9 |
| 2oo8_ligand_1_5.mol2 | 2oo8 | 0.766667 | -6.72 | c1cc(ccc1)NC=O | 9 |
| 2og8_ligand_1_1.mol2 | 2og8 | 0.766667 | -6.70 | C(=O)Nc1ccccc1 | 9 |
| 3ik3_ligand_1_2.mol2 | 3ik3 | 0.766667 | -6.68 | C(=O)Nc1ccccc1 | 9 |
235 ,
24
