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DocumentationIdentifier: MM254134
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254134 |
| SMILES |
C=C(C(C)=O)C(C)C(C)=O
|
| InChIKey |
PXIRPOLUCSVDNZ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM160672
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Similarity to MM160672
| Tanimoto metric | 0.7687 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM161044
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| Tanimoto metric | 0.7164 |
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| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.97 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350847
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Similarity to MM350847
| Tanimoto metric | 0.6287 |
|---|---|
| Cosine metric | 0.7721 |
| Dice metric | 0.7721 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
