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DocumentationIdentifier: MM256105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM256105 |
| SMILES |
CC(=O)C(F)=CCC(F)F
|
| InChIKey |
VQSKXEJWLMAUCO-UHFFFAOYSA-N
|
| MW [Da] |
152.12
Automatically obtained from RDkit software. |
| LogP |
2.08
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 | 0.8411 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9137 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.826 |
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| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.84 |
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| AI: | 0
Total active interactions
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MM360846
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| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.8108 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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