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DocumentationIdentifier: MM453791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453791 |
| SMILES |
CCCCCC#CCC=O
|
| InChIKey |
NXCFMLWEUGSRHW-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.16
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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MM215941
Similarity: 0.913
Similarity to MM215941
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM214213
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| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.913 |
| Dice metric | 0.913 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126815
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Similarity to MM126815
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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