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DocumentationIdentifier: MM292249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292249 |
| SMILES |
C=CCC(=C)CCCC#N
|
| InChIKey |
WOBNNHVOCUQGGG-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
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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MM166567
Similarity: 0.8281
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| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291864
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| Tanimoto metric | 0.803 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8908 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263284
Similarity: 0.7792
Similarity to MM263284
| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8759 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+414 more
