Common name
ethyl 2-aminobenzoate
IUPAC name
ethyl 2-aminobenzoate
SMILES
Nc1c(cccc1)C(=O)OCC
Common name
ethyl 2-aminobenzoate
IUPAC name
ethyl 2-aminobenzoate
SMILES
Nc1c(cccc1)C(=O)OCC
INCHI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3
FORMULA
C9H11NO2
Common name
ethyl 2-aminobenzoate
IUPAC name
ethyl 2-aminobenzoate
Molecular weight
165.189
clogP
1.309
clogS
-1.905
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01194 | Antrafenine |
|
; | Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain. |
| FDBD01608 | Etofenamate |
|
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2amt_ligand_2_44.mol2 | 2amt | 1 | -6.84 | CCOC(=O)c1ccccc1N | 12 |
| 2amt_ligand_1_9.mol2 | 2amt | 0.909091 | -6.62 | COC(=O)c1ccccc1N | 11 |
| 3h78_ligand.mol2 | 3h78 | 0.772727 | -7.20 | C(=O)(O)c1c(cccc1)N | 11 |
| 4owv_ligand.mol2 | 4owv | 0.772727 | -6.59 | C(=O)(O)c1c(cccc1)N | 11 |
| 4l0i_ligand_1_0.mol2 | 4l0i | 0.75 | -6.89 | c1(ccccc1)C(=O)OCC | 11 |
| 4tte_ligand_frag_1.mol2 | 4tte | 0.734694 | -6.05 | c1cc(cc(c1)N)C(=O)OC | 11 |
| 1dzm_ligand.mol2 | 1dzm | 0.733333 | -8.40 | C(OC(=O)c1ccccc1)c1ccccc1 | 17 |
| 5avi_ligand_1_5.mol2 | 5avi | 0.733333 | -8.01 | C(C)(C)(C)OC(=O)c1ccccc1 | 13 |
333 ,
34
