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DocumentationIdentifier: MM156387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156387 |
| SMILES |
C=CCC(=O)COCC
|
| InChIKey |
FZMMBPOQEKZGFU-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.17
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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MM292066
Similarity: 0.9268
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| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM250964
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Similarity to MM250964
| Tanimoto metric | 0.8539 |
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| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292067
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Similarity to MM292067
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+305 more
