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DocumentationIdentifier: MM106496
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM106496 |
| SMILES |
C=C(C)C#CC=CC
|
| InChIKey |
ZQGJVVPQQDYLSR-UHFFFAOYSA-N
|
| MW [Da] |
106.17
Automatically obtained from RDkit software. |
| LogP |
2.14
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 | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.31 |
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MM133435
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+584 more
