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DocumentationIdentifier: MM162241
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162241 |
| SMILES |
C=CCCC(C)C(=C)C
|
| InChIKey |
UOGLLRVWORZWBP-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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| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.55 |
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Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3 |
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Total active interactions
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+735 more
