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DocumentationIdentifier: MM288651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288651 |
| SMILES |
C#CCOC=CCC(C)=O
|
| InChIKey |
SINNHTBBONANGT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM153638
Similarity: 0.8354
Similarity to MM153638
| Tanimoto metric | 0.8354 |
|---|---|
| Cosine metric | 0.914 |
| Dice metric | 0.9103 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215086
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| Tanimoto metric | 0.7848 |
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| Cosine metric | 0.8859 |
| Dice metric | 0.8794 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288480
Similarity: 0.7765
Similarity to MM288480
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8742 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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