Common name
2-hydroxy-N-methyl-N-phenylacetamide
IUPAC name
2-hydroxy-N-methyl-N-phenylacetamide
SMILES
CN(C(=O)CO)c1ccccc1
Common name
2-hydroxy-N-methyl-N-phenylacetamide
IUPAC name
2-hydroxy-N-methyl-N-phenylacetamide
SMILES
CN(C(=O)CO)c1ccccc1
INCHI
InChI=1S/C9H11NO2/c1-10(9(12)7-11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
FORMULA
C9H11NO2
Common name
2-hydroxy-N-methyl-N-phenylacetamide
IUPAC name
2-hydroxy-N-methyl-N-phenylacetamide
Molecular weight
165.189
clogP
0.652
clogS
-1.134
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
40.54
Number of Rings
1
Rotatable Bond
3
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dho_ligand_3_16.mol2 | 4dho | 1 | -5.49 | C(O)C(=O)Nc1ccccc1 | 11 |
| 4dhm_ligand_3_16.mol2 | 4dhm | 1 | -5.42 | c1(ccccc1)NC(=O)CO | 11 |
| 3b68_ligand_1_0.mol2 | 3b68 | 0.805556 | -7.48 | c1(ccccc1)NC(=O)C | 10 |
| 3chs_ligand_2_2.mol2 | 3chs | 0.805556 | -7.46 | CC(=O)Nc1ccccc1 | 10 |
| 3chr_ligand_2_11.mol2 | 3chr | 0.805556 | -7.40 | CC(=O)Nc1ccccc1 | 10 |
| 3chq_ligand_2_15.mol2 | 3chq | 0.805556 | -7.36 | CC(=O)Nc1ccccc1 | 10 |
| 3n86_ligand_2_4.mol2 | 3n86 | 0.805556 | -7.31 | CC(=O)Nc1ccccc1 | 10 |
| 4msk_ligand_2_9.mol2 | 4msk | 0.805556 | -7.22 | c1(ccccc1)NC(=O)C | 10 |
100 ,
11
