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DocumentationIdentifier: MM323800
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323800 |
| SMILES |
C#CC(=O)C#CC(=C)CC
|
| InChIKey |
QHIGLLCOWXPLQB-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
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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MM146146
Similarity: 0.8
Similarity to MM146146
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146223
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| Tanimoto metric | 0.78 |
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| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
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|---|---|---|---|---|---|
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MM252942
Similarity: 0.7568
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| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8615 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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