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DocumentationIdentifier: MM393950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393950 |
| SMILES |
CC=CCC(CF)C(=O)O
|
| InChIKey |
VSWTXSVCKGFPSP-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.62
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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MM179867
Similarity: 0.84
Similarity to MM179867
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162849
Similarity: 0.672
Similarity to MM162849
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8038 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM243906
Similarity: 0.6584
Similarity to MM243906
| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.7956 |
| Dice metric | 0.794 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
