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DocumentationIdentifier: MM227868
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227868 |
| SMILES |
CC(O)CCC(F)(F)C=O
|
| InChIKey |
DPQCUORCIWXNAS-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
0.98
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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MM144129
Similarity: 0.7257
Similarity to MM144129
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130357
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| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8105 |
| MW: | 138.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM235157
Similarity: 0.6084
Similarity to MM235157
| Tanimoto metric | 0.6084 |
|---|---|
| Cosine metric | 0.7566 |
| Dice metric | 0.7565 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
