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DocumentationIdentifier: MM282839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282839 |
| SMILES |
C=CCC(=O)C#CCCC
|
| InChIKey |
BQKXSEWMNXIABO-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.94
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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MM158554
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| Tanimoto metric | 0.9221 |
|---|---|
| Cosine metric | 0.9602 |
| Dice metric | 0.9595 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367892
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| Tanimoto metric | 0.8861 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9396 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM252915
Similarity: 0.8621
Similarity to MM252915
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9271 |
| Dice metric | 0.9259 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+598 more
