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DocumentationIdentifier: MM216236
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216236 |
| SMILES |
O=CC=CC#CC=CF
|
| InChIKey |
FVZBBIPRPYUNLT-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM126594
Similarity: 0.7358
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| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 106.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126849
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| Tanimoto metric | 0.7358 |
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| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
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| AI: | 0
Total active interactions
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MM216234
Similarity: 0.7091
Similarity to MM216234
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8298 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
