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DocumentationIdentifier: MM96581
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96581 |
| SMILES |
C=C(C)C=CF
|
| InChIKey |
OXTGHUHTRXPIKZ-UHFFFAOYSA-N
|
| MW [Da] |
86.11
Automatically obtained from RDkit software. |
| LogP |
2.05
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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MM98243
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 98.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8819 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
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MM24877
Similarity: 0.75
Similarity to MM24877
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8571 |
| MW: | 86.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
