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DocumentationIdentifier: MM306748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306748 |
| SMILES |
C#CC(F)C(F)(C#C)C=O
|
| InChIKey |
XIAXQCNUEUSOFP-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
MM229860
Similarity: 0.6382
Similarity to MM229860
| Tanimoto metric | 0.6382 |
|---|---|
| Cosine metric | 0.7806 |
| Dice metric | 0.7791 |
| MW: | 150.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306736
Similarity: 0.6176
Similarity to MM306736
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7657 |
| Dice metric | 0.7636 |
| MW: | 143.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197169
Similarity: 0.6078
Similarity to MM197169
| Tanimoto metric | 0.6078 |
|---|---|
| Cosine metric | 0.7796 |
| Dice metric | 0.7561 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+13 more
