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DocumentationIdentifier: MM358653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358653 |
| SMILES |
C#CC(=O)C(F)C#CCF
|
| InChIKey |
LKZXKTWCZYYEDX-UHFFFAOYSA-N
|
| MW [Da] |
142.1
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174663
Similarity: 0.8522
Similarity to MM174663
| Tanimoto metric | 0.8522 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9202 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295816
Similarity: 0.7874
Similarity to MM295816
| Tanimoto metric | 0.7874 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8811 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163591
Similarity: 0.7826
Similarity to MM163591
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
