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DocumentationIdentifier: MM359713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359713 |
| SMILES |
C=CC#CC(=C)C=CCC
|
| InChIKey |
QIRBGOFDQFHWBV-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
2.7
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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MM158262
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| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158698
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| Tanimoto metric | 0.8462 |
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| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282560
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9091 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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