Common name
ethyl 2-aminoacetate
IUPAC name
ethyl 2-aminoacetate
SMILES
C(N)C(=O)OCC
Common name
ethyl 2-aminoacetate
IUPAC name
ethyl 2-aminoacetate
SMILES
C(N)C(=O)OCC
INCHI
InChI=1S/C4H9NO2/c1-2-7-4(6)3-5/h2-3,5H2,1H3
FORMULA
C4H9NO2
Common name
ethyl 2-aminoacetate
IUPAC name
ethyl 2-aminoacetate
Molecular weight
103.120
clogP
-0.414
clogS
-0.333
Frequency
0.0041
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
52.32
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01260 | Valganciclovir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | Valganciclovir is an antiviral medication used for the treatment of cytomegalovirus infections. |
| FDBD01345 | Ximelagatran |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of acute deep vein thrombosis. |
12 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bc4_ligand_2_0.mol2 | 3bc4 | 0.888889 | -5.13 | C(=O)(OCC[NH3+])C | 7 |
| 4b2l_ligand_frag_0.mol2 | 4b2l | 0.823529 | -4.89 | [NH3+]CC(=O)OC | 6 |
| 3bc4_ligand_1_0.mol2 | 3bc4 | 0.722222 | -4.84 | C(=O)OCC[NH3+] | 6 |
| 2rin_ligand.mol2 | 2rin | 0.666667 | -6.50 | [N+](CCOC(=O)C)(C)(C)C | 11 |
| 2ph6_ligand_2_0.mol2 | 2ph6 | 0.666667 | -6.31 | COC(=O)C([NH3+])(C)C | 8 |
| 2xz5_ligand.mol2 | 2xz5 | 0.666667 | -6.16 | [N+](CCOC(=O)C)(C)(C)C | 11 |
| 2ph6_ligand_1_1.mol2 | 2ph6 | 0.666667 | -5.90 | COC(=O)[C@@H]([NH3+])C | 7 |
| 2ha4_ligand.mol2 | 2ha4 | 0.666667 | -5.87 | [N+](CCOC(=O)C)(C)(C)C | 11 |
111 ,
12
