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DocumentationIdentifier: MM67218
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67218 |
| SMILES |
CNCC=CC#CC(N)=O
|
| InChIKey |
SSYMXMMMNKJGII-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.75
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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MM68785
Similarity: 0.8481
Similarity to MM68785
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368700
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Similarity to MM368700
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8755 |
| Dice metric | 0.8743 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM236133
Similarity: 0.7283
Similarity to MM236133
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8428 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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