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DocumentationIdentifier: MM103237
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103237 |
| SMILES |
C#CC(F)(F)C#CC
|
| InChIKey |
WFDLFCCUUVDOHX-UHFFFAOYSA-N
|
| MW [Da] |
114.09
Automatically obtained from RDkit software. |
| LogP |
1.28
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 | 0.931 |
|---|---|
| Cosine metric | 0.9649 |
| Dice metric | 0.9643 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7941 |
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| Cosine metric | 0.8911 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
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|---|---|---|---|---|---|
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MM139144
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Similarity to MM139144
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
