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DocumentationIdentifier: MM330465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330465 |
| SMILES |
C=CC(=C)CC(C=C)C=C
|
| InChIKey |
CVGXUZAOQGWLDS-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
3.11
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 | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8898 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.94 |
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Total active interactions
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| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.823 |
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| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
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