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DocumentationIdentifier: MM227177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227177 |
| SMILES |
C#CC(C)(C)OC(=O)CF
|
| InChIKey |
DWNCDGUIBNVKAN-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130889
Similarity: 0.7478
Similarity to MM130889
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264726
Similarity: 0.6763
Similarity to MM264726
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8069 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130178
Similarity: 0.6609
Similarity to MM130178
| Tanimoto metric | 0.6609 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.7958 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
