Common name
methyl 2-aminobenzoate
IUPAC name
methyl 2-aminobenzoate
SMILES
Nc1c(cccc1)C(=O)OC
Common name
methyl 2-aminobenzoate
IUPAC name
methyl 2-aminobenzoate
SMILES
Nc1c(cccc1)C(=O)OC
INCHI
InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
FORMULA
C8H9NO2
Common name
methyl 2-aminobenzoate
IUPAC name
methyl 2-aminobenzoate
Molecular weight
151.163
clogP
0.967
clogS
-1.491
Frequency
0.0010
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
1
Rotatable Bond
2
| 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. |
| FDBD01603 | Floctafenine |
|
Analgesics; Nervous System; | |
| FDBD01608 | Etofenamate |
|
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2amt_ligand_1_9.mol2 | 2amt | 1 | -6.62 | COC(=O)c1ccccc1N | 11 |
| 2amt_ligand_2_44.mol2 | 2amt | 0.909091 | -6.84 | CCOC(=O)c1ccccc1N | 12 |
| 3h78_ligand.mol2 | 3h78 | 0.85 | -7.20 | C(=O)(O)c1c(cccc1)N | 11 |
| 4owv_ligand.mol2 | 4owv | 0.85 | -6.59 | C(=O)(O)c1c(cccc1)N | 11 |
| 4tte_ligand_frag_1.mol2 | 4tte | 0.8 | -6.05 | c1cc(cc(c1)N)C(=O)OC | 11 |
| 3ms9_ligand_frag_0.mol2 | 3ms9 | 0.769231 | -7.21 | Clc1cc(c(cc1)C(=O)OC)N | 12 |
| 3ms9_ligand.mol2 | 3ms9 | 0.769231 | -7.21 | Clc1cc(c(cc1)C(=O)OC)N | 13 |
| 4y5d_ligand_frag_1.mol2 | 4y5d | 0.75 | -7.04 | O=C(OC)c1ccccc1 | 10 |
| 4mg6_ligand_1_3.mol2 | 4mg6 | 0.75 | -6.92 | COC(=O)c1ccccc1 | 10 |
316 ,
32
