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DocumentationIdentifier: MM264807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264807 |
| SMILES |
CC#CC(=O)NC(C)C#N
|
| InChIKey |
ABRVLZCXIHQHIE-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM80197
Similarity: 0.7541
Similarity to MM80197
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8598 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46538
Similarity: 0.7321
Similarity to MM46538
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57987
Similarity: 0.6889
Similarity to MM57987
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8158 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
