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DocumentationIdentifier: MM336451
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336451 |
| SMILES |
CC=C(C=O)C=C(C)CF
|
| InChIKey |
ACWBYZKDKPQKJV-UHFFFAOYSA-N
|
| MW [Da] |
142.17
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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| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274246
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| Tanimoto metric | 0.7368 |
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| Cosine metric | 0.8496 |
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| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM143881
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| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+467 more
