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DocumentationIdentifier: MM111727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111727 |
| SMILES |
CCC(=O)C(F)CC
|
| InChIKey |
UASTXEKUUGGFEQ-UHFFFAOYSA-N
|
| MW [Da] |
118.15
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172345
Similarity: 0.8493
Similarity to MM172345
| Tanimoto metric | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172913
Similarity: 0.8378
Similarity to MM172913
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108182
Similarity: 0.806
Similarity to MM108182
| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8926 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
