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DocumentationIdentifier: MM80197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80197 |
| SMILES |
C#CC(=O)NC(C#N)C#N
|
| InChIKey |
LFYFAVVFKPYQBR-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264807
Similarity: 0.7541
Similarity to MM264807
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8598 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44545
Similarity: 0.7353
Similarity to MM44545
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57987
Similarity: 0.7302
Similarity to MM57987
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.844 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
