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DocumentationIdentifier: MM301628
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301628 |
| SMILES |
C=CCCCC(C)C(=C)C
|
| InChIKey |
QXJUPVWHNXMOOS-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.55
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 | 0.9254 |
|---|---|
| Cosine metric | 0.962 |
| Dice metric | 0.9612 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8158 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.63 |
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Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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