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DocumentationIdentifier: MM242081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242081 |
| SMILES |
C#CC(C)(C)C(F)CCO
|
| InChIKey |
CFZDBWGDJBOFBA-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172251
Similarity: 0.785
Similarity to MM172251
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225525
Similarity: 0.678
Similarity to MM225525
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8107 |
| Dice metric | 0.8081 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348679
Similarity: 0.6667
Similarity to MM348679
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+337 more
