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DocumentationIdentifier: MM323391
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323391 |
| SMILES |
C=CC(F)C#CC(=O)CF
|
| InChIKey |
LKEWBWIKPBPPEM-UHFFFAOYSA-N
|
| MW [Da] |
144.12
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146065
Similarity: 0.7928
Similarity to MM146065
| Tanimoto metric | 0.7928 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8844 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146098
Similarity: 0.7387
Similarity to MM146098
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8497 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323504
Similarity: 0.6984
Similarity to MM323504
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8224 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
