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DocumentationIdentifier: MM378650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378650 |
| SMILES |
C=CC(CC#N)C(=C)C#N
|
| InChIKey |
QNKBNFITQGFPKL-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.78
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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MM389950
Similarity: 0.8519
Similarity to MM389950
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.92 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8462 |
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| Cosine metric | 0.9169 |
| Dice metric | 0.9167 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160670
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| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.883 |
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| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+221 more
