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DocumentationIdentifier: MM352821
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352821 |
| SMILES |
C=CC(=C)C(=O)C(=C)C=C
|
| InChIKey |
AFNQHESSMAYEOR-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.04
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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MM161326
Similarity: 0.9381
Similarity to MM161326
| Tanimoto metric | 0.9381 |
|---|---|
| Cosine metric | 0.9686 |
| Dice metric | 0.9681 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM161321
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Similarity to MM161321
| Tanimoto metric | 0.6975 |
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| Cosine metric | 0.8224 |
| Dice metric | 0.8218 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.87 |
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| AI: | 0
Total active interactions
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MM112166
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Similarity to MM112166
| Tanimoto metric | 0.6701 |
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| Cosine metric | 0.8186 |
| Dice metric | 0.8025 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+31 more
