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DocumentationIdentifier: MM282757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282757 |
| SMILES |
CCCC#CC(=O)CCC
|
| InChIKey |
DNGZLRHAPNPKNU-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.16
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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| Tanimoto metric | 0.9394 |
|---|---|
| Cosine metric | 0.9692 |
| Dice metric | 0.9688 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.938 |
| Dice metric | 0.9375 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM252869
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| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.95 |
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+839 more
