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DocumentationIdentifier: MM73742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73742 |
| SMILES |
CC(=O)N(C)CC#CC=O
|
| InChIKey |
CJPKKYFZVBLSKS-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163084
Similarity: 0.8526
Similarity to MM163084
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23810
Similarity: 0.8081
Similarity to MM23810
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8939 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305282
Similarity: 0.7714
Similarity to MM305282
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.871 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
