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DocumentationIdentifier: MM265948
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265948 |
| SMILES |
CC(=CC=O)CC(=O)CF
|
| InChIKey |
HAISRHIMAKGOSB-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143067
Similarity: 0.844
Similarity to MM143067
| Tanimoto metric | 0.844 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9154 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265798
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| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8972 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265799
Similarity: 0.7419
Similarity to MM265799
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8519 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
