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DocumentationIdentifier: MM296962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296962 |
| SMILES |
C=CCC(C)C(C)C(=C)C
|
| InChIKey |
HFDDGHKOPDWFBD-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.41
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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MM160084
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| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM296763
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| Tanimoto metric | 0.7889 |
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| Cosine metric | 0.882 |
| Dice metric | 0.882 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
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|---|---|---|---|---|---|
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Total active interactions
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MM297700
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Similarity to MM297700
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.8816 |
| MW: | 140.27 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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