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DocumentationIdentifier: MM383726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383726 |
| SMILES |
N#CC(=CC=O)C(O)C#N
|
| InChIKey |
BZRSMHFNLHKZNW-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
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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MM52689
Similarity: 0.7786
Similarity to MM52689
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53754
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Similarity to MM53754
| Tanimoto metric | 0.7643 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM51047
Similarity: 0.7429
Similarity to MM51047
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
