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DocumentationIdentifier: MM161044
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161044 |
| SMILES |
C=C(C(C)=O)C(C)C=O
|
| InChIKey |
NASGHUXQAQSTOM-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM225808
Similarity: 0.768
Similarity to MM225808
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352388
Similarity: 0.75
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| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254134
Similarity: 0.7164
Similarity to MM254134
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
