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DocumentationIdentifier: MM282687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282687 |
| SMILES |
COCC#CC(C)OC=O
|
| InChIKey |
UCJLHUHBPVVNOV-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 |
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MM46905
Similarity: 0.9231
Similarity to MM46905
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252675
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Similarity to MM252675
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9268 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM45567
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Similarity to MM45567
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8732 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
