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DocumentationIdentifier: MM196755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196755 |
| SMILES |
C#CC(C=O)(CF)NC
|
| InChIKey |
BPGMLTWIWFBOEY-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
-0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43096
Similarity: 0.7919
Similarity to MM43096
| Tanimoto metric | 0.7919 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346245
Similarity: 0.6114
Similarity to MM346245
| Tanimoto metric | 0.6114 |
|---|---|
| Cosine metric | 0.7819 |
| Dice metric | 0.7588 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46020
Similarity: 0.5725
Similarity to MM46020
| Tanimoto metric | 0.5725 |
|---|---|
| Cosine metric | 0.736 |
| Dice metric | 0.7282 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
