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DocumentationIdentifier: MM298624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298624 |
| SMILES |
C=C(C)C(=C)C(CC)CC
|
| InChIKey |
CLYAHZMLHZJHOG-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 | 0.9195 |
|---|---|
| Cosine metric | 0.9589 |
| Dice metric | 0.9581 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351753
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| Tanimoto metric | 0.8081 |
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| Cosine metric | 0.8942 |
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| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM298694
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| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8808 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+554 more
