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DocumentationIdentifier: MM154737
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM154737 |
| SMILES |
C=C(C)C#CC=CC=O
|
| InChIKey |
ADQHPDNGLDEQTM-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369626
Similarity: 0.8592
Similarity to MM369626
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368893
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Similarity to MM368893
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368834
Similarity: 0.7821
Similarity to MM368834
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
