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DocumentationIdentifier: MM90544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90544 |
| SMILES |
N#CC#CC(=O)C(O)C#N
|
| InChIKey |
IFUVYZCEKPVRME-UHFFFAOYSA-N
|
| MW [Da] |
134.09
Automatically obtained from RDkit software. |
| LogP |
-1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50901
Similarity: 0.856
Similarity to MM50901
| Tanimoto metric | 0.856 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163694
Similarity: 0.792
Similarity to MM163694
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358974
Similarity: 0.7643
Similarity to MM358974
| Tanimoto metric | 0.7643 |
|---|---|
| Cosine metric | 0.8665 |
| Dice metric | 0.8664 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
