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DocumentationIdentifier: MM126850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126850 |
| SMILES |
FC=CC#CC=CF
|
| InChIKey |
JWMGHXWXYHRBID-UHFFFAOYSA-N
|
| MW [Da] |
114.09
Automatically obtained from RDkit software. |
| LogP |
1.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM28253
Similarity: 0.9355
Similarity to MM28253
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 96.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25280
Similarity: 0.8387
Similarity to MM25280
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 84.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126849
Similarity: 0.7073
Similarity to MM126849
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.8286 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
