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DocumentationIdentifier: MM161649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161649 |
| SMILES |
C=CC(=C)C(C)=C(F)F
|
| InChIKey |
LQKRJCWTEYOHHE-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
2.9
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 | 0.7593 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8632 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.29 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM270254
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.2 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+224 more
