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DocumentationIdentifier: MM367876
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367876 |
| SMILES |
COCCC#CC(=O)OC
|
| InChIKey |
XTUUISJTARLZPV-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49744
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| Tanimoto metric | 0.9268 |
|---|---|
| Cosine metric | 0.9627 |
| Dice metric | 0.962 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114583
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| Tanimoto metric | 0.7805 |
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| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282788
Similarity: 0.7755
Similarity to MM282788
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8736 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
