Common name
2-ethoxynaphthalene-1-carboxamide
IUPAC name
2-ethoxynaphthalene-1-carboxamide
SMILES
O=C(N)c1c2c(ccc1OCC)cccc2
Common name
2-ethoxynaphthalene-1-carboxamide
IUPAC name
2-ethoxynaphthalene-1-carboxamide
SMILES
O=C(N)c1c2c(ccc1OCC)cccc2
INCHI
InChI=1S/C13H13NO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H2,14,15)
FORMULA
C13H13NO2
Common name
2-ethoxynaphthalene-1-carboxamide
IUPAC name
2-ethoxynaphthalene-1-carboxamide
Molecular weight
215.248
clogP
2.463
clogS
-3.294
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00472 | Nafcillin |
|
Anti-Bacterial Agents; Penicillins; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Beta-Lactamase Resistant Penicillins; Beta-Lactam Antibacterials, Penicillins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | For the treatment of infections caused by penicillinase-producing staphylococci which have demonstrated susceptibility to the drugs. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yms_ligand_3_0.mol2 | 1yms | 1 | -6.93 | c1(c(c2c(cccc2)cc1)C(=O)N)OCC | 16 |
| 1ny0_ligand_3_0.mol2 | 1ny0 | 1 | -6.52 | c1(c(c2c(cccc2)cc1)C(=O)N)OCC | 16 |
| 2xnp_ligand_3_9.mol2 | 2xnp | 0.979592 | -7.19 | C(=O)(N)c1c(OCC)cccc1 | 12 |
| 4umq_ligand_4_117.mol2 | 4umq | 0.979592 | -6.89 | C(Oc1c(C(=O)N)cccc1)C | 12 |
| 2v13_ligand_4_1015.mol2 | 2v13 | 0.979592 | -6.84 | CCOc1ccccc1C(=O)N | 12 |
| 2v12_ligand_4_1240.mol2 | 2v12 | 0.979592 | -6.80 | C(C)Oc1ccccc1C(=O)N | 12 |
| 4d2t_ligand_4_21.mol2 | 4d2t | 0.979592 | -6.75 | c1(ccccc1C(=O)N)OCC | 12 |
| 4ngp_ligand_4_1496.mol2 | 4ngp | 0.979592 | -6.33 | C(=O)(N)c1c(cccc1)OCC | 12 |
104 ,
11
