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DocumentationIdentifier: MM272254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272254 |
| SMILES |
CC(=O)NC(CF)CCF
|
| InChIKey |
IYDKEDOJZMEDDG-UHFFFAOYSA-N
|
| MW [Da] |
151.16
Automatically obtained from RDkit software. |
| LogP |
0.82
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 | 0.8017 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8899 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8453 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM41013
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| Tanimoto metric | 0.719 |
|---|---|
| Cosine metric | 0.8479 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
