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DocumentationIdentifier: MM438325
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438325 |
| SMILES |
CCC(C#N)=CCCC#N
|
| InChIKey |
VOJNTEHDCKABIJ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201689
Similarity: 0.9054
Similarity to MM201689
| Tanimoto metric | 0.9054 |
|---|---|
| Cosine metric | 0.9515 |
| Dice metric | 0.9504 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437624
Similarity: 0.8519
Similarity to MM437624
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.9201 |
| Dice metric | 0.92 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM382173
Similarity: 0.7841
Similarity to MM382173
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.879 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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