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DocumentationIdentifier: MM289569
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289569 |
| SMILES |
C#CC#CCC=CC(C)=O
|
| InChIKey |
SQRPKMSFJOAMLP-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
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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MM154327
Similarity: 0.8611
Similarity to MM154327
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289554
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Similarity to MM289554
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8986 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM214641
Similarity: 0.7778
Similarity to MM214641
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+625 more
