Common name
N-[2-(methylamino)-2-oxoethyl]naphthalene-1-carboxamide
IUPAC name
N-[2-(methylamino)-2-oxoethyl]naphthalene-1-carboxamide
SMILES
c1cc2c(cc1)c(ccc2)C(=O)NCC(=O)NC
Common name
N-[2-(methylamino)-2-oxoethyl]naphthalene-1-carboxamide
IUPAC name
N-[2-(methylamino)-2-oxoethyl]naphthalene-1-carboxamide
SMILES
c1cc2c(cc1)c(ccc2)C(=O)NCC(=O)NC
INCHI
InChI=1S/C14H14N2O2/c1-15-13(17)9-16-14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
FORMULA
C14H14N2O2
Common name
N-[2-(methylamino)-2-oxoethyl]naphthalene-1-carboxamide
IUPAC name
N-[2-(methylamino)-2-oxoethyl]naphthalene-1-carboxamide
Molecular weight
242.273
clogP
1.994
clogS
-3.813
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total Polar
Surface Area
58.2
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02324 | afoxolaner |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wx7_ligand_4_92.mol2 | 4wx7 | 0.979592 | -6.39 | C(=O)(NC)CNC(=O)c1ccccc1 | 14 |
| 1lqf_ligand_4_27.mol2 | 1lqf | 0.979592 | -6.03 | CNC(=O)CNC(=O)c1ccccc1 | 14 |
| 2cma_ligand_4_197.mol2 | 2cma | 0.979592 | -5.62 | CNC(=O)CNC(=O)c1ccccc1 | 14 |
| 4lkd_ligand_4_52.mol2 | 4lkd | 0.979592 | -5.40 | CNC(=O)CNC(=O)c1ccccc1 | 14 |
| 4lke_ligand_4_16.mol2 | 4lke | 0.979592 | -5.40 | c1(ccccc1)C(=O)NCC(=O)NC | 14 |
| 4lkf_ligand_4_40.mol2 | 4lkf | 0.979592 | -5.29 | C(=O)(NC)CNC(=O)c1ccccc1 | 14 |
| 1lqf_ligand_5_13.mol2 | 1lqf | 0.90566 | -6.18 | CNC(=O)[C@@H](NC(=O)c1ccccc1)C | 15 |
| 2cma_ligand_5_247.mol2 | 2cma | 0.90566 | -5.81 | CNC(=O)[C@@H](NC(=O)c1ccccc1)C | 15 |
| 4lke_ligand_5_9.mol2 | 4lke | 0.90566 | -5.50 | c1(ccccc1)C(=O)N[C@H](C(=O)NC)C | 15 |
| 4lkd_ligand_5_37.mol2 | 4lkd | 0.90566 | -5.49 | CNC(=O)[C@@H](NC(=O)c1ccccc1)C | 15 |
131 ,
14
