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DocumentationIdentifier: MM162386
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162386 |
| SMILES |
O=C(CCCF)C(F)F
|
| InChIKey |
MSHALPCJKMZKPZ-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
1.57
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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MM108346
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Similarity to MM108346
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144600
Similarity: 0.831
Similarity to MM144600
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9077 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231352
Similarity: 0.8171
Similarity to MM231352
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.9039 |
| Dice metric | 0.8993 |
| MW: | 158.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+322 more
