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DocumentationEthenyl 2-methyl-3-oxopropanoate
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02409 |
| SMILES |
C=COC(=O)C(C)C=O
|
| InChIKey |
ZEXSJPJQAJBKJV-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
57077851
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM242389
Similarity: 0.7982
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| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.9 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM353636
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| Tanimoto metric | 0.7982 |
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| Cosine metric | 0.8934 |
| Dice metric | 0.8878 |
| MW: | 146.12 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.81 |
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MM409442
Similarity: 0.75
Similarity to MM409442
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
