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DocumentationIdentifier: MM266812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266812 |
| SMILES |
C=CCC(=O)C=C(C)C=O
|
| InChIKey |
KYWJAVITNFVKNW-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM143727
Similarity: 0.8352
Similarity to MM143727
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7525 |
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| Cosine metric | 0.8591 |
| Dice metric | 0.8588 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM238195
Similarity: 0.7368
Similarity to MM238195
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.853 |
| Dice metric | 0.8485 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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