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DocumentationIdentifier: MM112288
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112288 |
| SMILES |
C=C(CC)C(C)=CC
|
| InChIKey |
JEXLENUBXCXCLZ-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.92
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 | 0.8387 |
|---|---|
| Cosine metric | 0.9124 |
| Dice metric | 0.9123 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175434
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| Tanimoto metric | 0.7945 |
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| Cosine metric | 0.8914 |
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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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MM174845
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| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
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| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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