Common name
N-(2,3-dimethylphenyl)formamide
IUPAC name
N-(2,3-dimethylphenyl)formamide
SMILES
c1(c(c(ccc1)C)C)NC=O
Common name
N-(2,3-dimethylphenyl)formamide
IUPAC name
N-(2,3-dimethylphenyl)formamide
SMILES
c1(c(c(ccc1)C)C)NC=O
INCHI
InChI=1S/C9H11NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-6H,1-2H3,(H,10,11)
FORMULA
C9H11NO
Common name
N-(2,3-dimethylphenyl)formamide
IUPAC name
N-(2,3-dimethylphenyl)formamide
Molecular weight
149.190
clogP
2.124
clogS
-2.698
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
1
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oo8_ligand_2_25.mol2 | 2oo8 | 0.891892 | -6.95 | c1(cc(ccc1)NC=O)C | 10 |
| 3be2_ligand_2_25.mol2 | 3be2 | 0.891892 | -6.77 | Cc1cc(NC=O)ccc1 | 10 |
| 2upj_ligand_2_38.mol2 | 2upj | 0.891892 | -6.67 | c1(cccc(c1)C)NC=O | 10 |
| 4xcu_ligand_1_1.mol2 | 4xcu | 0.891892 | -6.19 | O=CNc1cccc(c1)C | 10 |
| 4kiq_ligand_1_1.mol2 | 4kiq | 0.864865 | -7.14 | c1(c(cccc1)NC=O)C | 10 |
| 3b2w_ligand_1_0.mol2 | 3b2w | 0.864865 | -6.90 | N(C=O)c1ccccc1C | 10 |
| 2nyr_ligand_1_2.mol2 | 2nyr | 0.864865 | -6.83 | N(C=O)c1ccccc1C | 10 |
| 4x3u_ligand_1_2.mol2 | 4x3u | 0.864865 | -6.70 | c1cc(c(cc1)C)NC=O | 10 |
| 4x3u_ligand_1_7.mol2 | 4x3u | 0.864865 | -6.70 | c1(ccccc1C)NC=O | 10 |
100 ,
11
