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DocumentationIdentifier: MM292248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292248 |
| SMILES |
C=CCC(=C)CCCC=O
|
| InChIKey |
FMQGXRXDYLXADF-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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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MM166566
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| Tanimoto metric | 0.8308 |
|---|---|
| Cosine metric | 0.9115 |
| Dice metric | 0.9076 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291863
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| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8926 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
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|---|---|---|---|---|---|
| AI: | 0
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MM236957
Similarity: 0.7595
Similarity to MM236957
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8633 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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