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DocumentationIdentifier: MM231809
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231809 |
| SMILES |
C#CC#CC(=O)C(F)(F)F
|
| InChIKey |
JXPLXUHBNYMYEG-UHFFFAOYSA-N
|
| MW [Da] |
146.07
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163709
Similarity: 0.8404
Similarity to MM163709
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9167 |
| Dice metric | 0.9133 |
| MW: | 128.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132242
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| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 136.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294697
Similarity: 0.767
Similarity to MM294697
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8681 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
