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DocumentationIdentifier: MM215096
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215096 |
| SMILES |
C#CCC=COCC#C
|
| InChIKey |
CJLOZYRJPTUQGD-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126260
Similarity: 0.8571
Similarity to MM126260
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Dice metric | 0.9231 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM452578
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| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
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|
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