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Documentation2-(2-methylpropanoyloxy)acetic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03544 |
| SMILES |
CC(C)C(=O)OCC(=O)O
|
| InChIKey |
NAIQNQWSHGYSBL-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
22053298
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317352
Similarity: 0.8163
Similarity to MM317352
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433490
Similarity: 0.678
Similarity to MM433490
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8081 |
| MW: | 143.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62954
Similarity: 0.6612
Similarity to MM62954
| Tanimoto metric | 0.6612 |
|---|---|
| Cosine metric | 0.7963 |
| Dice metric | 0.796 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
