Common name
2-methoxyaniline
IUPAC name
2-methoxyaniline
SMILES
O(C)c1c(cccc1)N
Common name
2-methoxyaniline
IUPAC name
2-methoxyaniline
SMILES
O(C)c1c(cccc1)N
INCHI
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
FORMULA
C7H9NO
Common name
2-methoxyaniline
IUPAC name
2-methoxyaniline
Molecular weight
123.152
clogP
1.125
clogS
-1.515
Frequency
0.0014
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
35.25
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00163 | Amsacrine |
|
Antineoplastic Agents; Immunosuppressive Agents; Intercalating Agents; Antineoplastic and Immunomodulating Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment of acute myeloid leukaemia. |
| FDBD00669 | Proparacaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Local Anesthetics; | Used as a local (ophthalmic) anesthetic. |
| FDBD00751 | Oxybuprocaine |
|
Anesthetics, Local; Ophthalmologicals; Sensory Organs; Dermatologicals; Local Anesthetics; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; | Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed. |
| FDBD01810 | Osimertinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftz_ligand_2_0.mol2 | 3ftz | 1 | -6.79 | O(c1c(N)cccc1)C | 9 |
| 4d2s_ligand_2_10.mol2 | 4d2s | 1 | -6.34 | c1ccc(c(c1)OC)N | 9 |
| 2jkq_ligand_2_20.mol2 | 2jkq | 1 | -6.32 | Nc1ccccc1OC | 9 |
| 3fc2_ligand_2_3.mol2 | 3fc2 | 1 | -6.30 | Nc1c(cccc1)OC | 9 |
| 1u9x_ligand_3_64.mol2 | 1u9x | 1 | -6.29 | Nc1ccccc1OC | 9 |
| 2jkk_ligand_2_6.mol2 | 2jkk | 1 | -6.29 | O(C)c1ccccc1N | 9 |
| 2jkm_ligand_2_25.mol2 | 2jkm | 1 | -6.27 | Nc1c(cccc1)OC | 9 |
| 2rku_ligand_2_13.mol2 | 2rku | 1 | -6.27 | c1(ccccc1OC)N | 9 |
| 4j52_ligand_2_1.mol2 | 4j52 | 1 | -6.27 | Nc1c(cccc1)OC | 9 |
143 ,
15
