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DocumentationIdentifier: MM224054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224054 |
| SMILES |
CC(CN)=C(C)C(F)(F)F
|
| InChIKey |
BLYXRXGXOGCNEP-UHFFFAOYSA-N
|
| MW [Da] |
153.15
Automatically obtained from RDkit software. |
| LogP |
1.84
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 | 0.7453 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8541 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.91 |
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Total active interactions
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| Tanimoto metric | 0.6875 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+330 more
