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DocumentationIdentifier: MM173046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173046 |
| SMILES |
C=CCC(=C)C(C)CC
|
| InChIKey |
IERAOXZJUZHBIC-UHFFFAOYSA-N
|
| MW [Da] |
124.23
Automatically obtained from RDkit software. |
| LogP |
3.16
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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MM293425
Similarity: 0.8442
Similarity to MM293425
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292917
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM353312
Similarity: 0.7831
Similarity to MM353312
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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