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DocumentationIdentifier: MM221783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221783 |
| SMILES |
CCCC(F)(F)CC(=O)O
|
| InChIKey |
DMTVFSYZAZVLNZ-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
1.9
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 | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8473 |
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| PI: | 3
Total passive interactions
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| LogP: | 1.6 |
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| Tanimoto metric | 0.6774 |
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| Cosine metric | 0.8141 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+164 more
