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DocumentationIdentifier: MM306682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306682 |
| SMILES |
C=CCC(C(C)F)C(F)F
|
| InChIKey |
JFUMINQFPSIHEI-UHFFFAOYSA-N
|
| MW [Da] |
152.16
Automatically obtained from RDkit software. |
| LogP |
2.8
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 | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8315 |
| MW: | 140.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.89 |
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MM308054
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| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7965 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
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