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DocumentationIdentifier: MM380944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380944 |
| SMILES |
CC#CC(C#CC=O)=CC
|
| InChIKey |
BDMVQCJJNRVDIQ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201518
Similarity: 0.925
Similarity to MM201518
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397891
Similarity: 0.8065
Similarity to MM397891
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8939 |
| Dice metric | 0.8929 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385237
Similarity: 0.7957
Similarity to MM385237
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.887 |
| Dice metric | 0.8862 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+484 more
