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DocumentationIdentifier: MM389438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389438 |
| SMILES |
CC#CC(C#N)CCC#N
|
| InChIKey |
OJBOQXUNQQIYNX-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.45
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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MM389464
Similarity: 0.8387
Similarity to MM389464
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9123 |
| Dice metric | 0.9123 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272876
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| Tanimoto metric | 0.8085 |
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| Cosine metric | 0.8941 |
| Dice metric | 0.8941 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM379924
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Similarity to MM379924
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8862 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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