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DocumentationIdentifier: MM253443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253443 |
| SMILES |
C#CC=C(C)OC=C(F)F
|
| InChIKey |
VRWHEIIFLVKHKK-UHFFFAOYSA-N
|
| MW [Da] |
144.12
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159144
Similarity: 0.837
Similarity to MM159144
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146525
Similarity: 0.7826
Similarity to MM146525
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253431
Similarity: 0.6697
Similarity to MM253431
| Tanimoto metric | 0.6697 |
|---|---|
| Cosine metric | 0.8022 |
| Dice metric | 0.8022 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
