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DocumentationIdentifier: MM80196
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80196 |
| SMILES |
C#CC(=O)NC(C#N)C=C
|
| InChIKey |
ZFRAKRSFGAERFG-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44544
Similarity: 0.7557
Similarity to MM44544
| Tanimoto metric | 0.7557 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8609 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43040
Similarity: 0.6947
Similarity to MM43040
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8198 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80197
Similarity: 0.6525
Similarity to MM80197
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.7959 |
| Dice metric | 0.7897 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
