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DocumentationIdentifier: MM139092
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139092 |
| SMILES |
O=CC(F)(F)C#CCF
|
| InChIKey |
LNADPPPACIADPX-UHFFFAOYSA-N
|
| MW [Da] |
136.07
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228563
Similarity: 0.9101
Similarity to MM228563
| Tanimoto metric | 0.9101 |
|---|---|
| Cosine metric | 0.954 |
| Dice metric | 0.9529 |
| MW: | 154.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103234
Similarity: 0.8272
Similarity to MM103234
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 118.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139089
Similarity: 0.7609
Similarity to MM139089
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8642 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
