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DocumentationIdentifier: MM296232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296232 |
| SMILES |
CCCC=CC(C)=C(C)C
|
| InChIKey |
HWMHCMIFUXHEEU-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.7
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 | 0.8308 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9076 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM284191
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| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.878 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+632 more
