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DocumentationIdentifier: MM172756
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172756 |
| SMILES |
C=CCC(C)C(=C)C#N
|
| InChIKey |
XQASMJBYPYURLL-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
2.28
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 | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8757 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.11 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.44 |
||||
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| AI: | 0
Total active interactions
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