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DocumentationIdentifier: MM142580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142580 |
| SMILES |
COC(=O)CC(=O)OC
|
| InChIKey |
BEPAFCGSDWSTEL-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33074
Similarity: 0.9355
Similarity to MM33074
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8345 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity: 0.6824
Similarity to 3-ethenoxy-3-oxopropanoic Acid
| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8112 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+12 more
