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DocumentationIdentifier: MM220857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220857 |
| SMILES |
CC(C)(N)CCCC(F)F
|
| InChIKey |
PGKSYRXQTFXJJZ-UHFFFAOYSA-N
|
| MW [Da] |
151.2
Automatically obtained from RDkit software. |
| LogP |
2.16
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 | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 133.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.77 |
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| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7929 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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