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DocumentationIdentifier: MM392626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392626 |
| SMILES |
CC(C)C(C#N)CCC#N
|
| InChIKey |
IYWNBJVGHSVRKO-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406797
Similarity: 0.8696
Similarity to MM406797
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9302 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172047
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| Tanimoto metric | 0.8154 |
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| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM179687
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Similarity to MM179687
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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