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DocumentationIdentifier: MM139812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139812 |
| SMILES |
CC(C)C(C)(CF)CF
|
| InChIKey |
LLSUFXIOSNSVBD-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.59
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 | 0.9273 |
|---|---|
| Cosine metric | 0.963 |
| Dice metric | 0.9623 |
| MW: | 154.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8856 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.34 |
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| AI: | 0
Total active interactions
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MM103240
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| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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