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DocumentationIdentifier: MM158531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158531 |
| SMILES |
C=CC#CC(=O)OCC
|
| InChIKey |
CVSWQSBMTGYNCD-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.74
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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MM358985
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM283023
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| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
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| AI: | 0
Total active interactions
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MM358927
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Similarity to MM358927
| Tanimoto metric | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
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| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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