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DocumentationIdentifier: MM161734
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161734 |
| SMILES |
CC(C=O)=C(C)C(F)F
|
| InChIKey |
WYNHOXFFIRBRAX-UHFFFAOYSA-N
|
| MW [Da] |
134.13
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 | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7317 |
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| Cosine metric | 0.8554 |
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| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.4 |
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| AI: | 0
Total active interactions
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MM300423
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| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
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| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+325 more
