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DocumentationIdentifier: MM86615
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86615 |
| SMILES |
CNCC(C=CF)C=CF
|
| InChIKey |
XZNBVTNNRNZFEN-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
1.79
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 | 0.9452 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.49 |
||||
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| AI: | 0
Total active interactions
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Total passive interactions
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