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DocumentationIdentifier: MM172910
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172910 |
| SMILES |
CC(CF)C(=O)CCF
|
| InChIKey |
HBOKYYHOHIEDOD-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350979
Similarity: 0.92
Similarity to MM350979
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111695
Similarity: 0.8696
Similarity to MM111695
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160783
Similarity: 0.8533
Similarity to MM160783
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9209 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
