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DocumentationIdentifier: MM130899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130899 |
| SMILES |
CCC(C)(C)C=C(F)F
|
| InChIKey |
PPKSXLLVDDXHJQ-UHFFFAOYSA-N
|
| MW [Da] |
134.17
Automatically obtained from RDkit software. |
| LogP |
3.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229598
Similarity: 0.84
Similarity to MM229598
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221992
Similarity: 0.8182
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM222289
Similarity: 0.7975
Similarity to MM222289
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+595 more
