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DocumentationIdentifier: MM245066
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245066 |
| SMILES |
C=CC(=O)CC(F)C(C)F
|
| InChIKey |
DZSKTXSTPZRGLG-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
1.83
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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| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8455 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8186 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262194
Similarity: 0.6479
Similarity to MM262194
| Tanimoto metric | 0.6479 |
|---|---|
| Cosine metric | 0.7892 |
| Dice metric | 0.7863 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+300 more
