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DocumentationIdentifier: MM76226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76226 |
| SMILES |
CC(C)=C(CC=O)CCF
|
| InChIKey |
IMEDKAABFGESRV-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
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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MM178522
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Similarity to MM178522
| Tanimoto metric | 0.828 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9059 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM384920
Similarity: 0.7064
Similarity to MM384920
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.828 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297081
Similarity: 0.6792
Similarity to MM297081
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.809 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+615 more
