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DocumentationIdentifier: MM264747
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264747 |
| SMILES |
C=CC(=O)OC(C)C#CC
|
| InChIKey |
CUOQLARYCJKBOT-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 |
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MM142503
Similarity: 0.7949
Similarity to MM142503
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135922
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| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8585 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM330841
Similarity: 0.746
Similarity to MM330841
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8545 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+298 more
