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DocumentationIdentifier: MM222831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222831 |
| SMILES |
CC(=O)C(C)(C)C(C)(F)F
|
| InChIKey |
VPSONNPFZYECRV-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM129877
Similarity: 0.7535
Similarity to MM129877
| Tanimoto metric | 0.7535 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8594 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132911
Similarity: 0.7113
Similarity to MM132911
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225667
Similarity: 0.6102
Similarity to MM225667
| Tanimoto metric | 0.6102 |
|---|---|
| Cosine metric | 0.7579 |
| Dice metric | 0.7579 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
