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DocumentationIdentifier: MM375126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375126 |
| SMILES |
CC#CC=CCC(=N)NC
|
| InChIKey |
JAFGOVVSDHEUMZ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.15
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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MM168719
Similarity: 0.871
Similarity to MM168719
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM153871
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Similarity to MM153871
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8738 |
| Dice metric | 0.8659 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288983
Similarity: 0.7245
Similarity to MM288983
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8402 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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