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DocumentationIdentifier: MM103088
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103088 |
| SMILES |
N#CC(F)(F)CC=O
|
| InChIKey |
VKMWSMMFSUXXSU-UHFFFAOYSA-N
|
| MW [Da] |
119.07
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25718
Similarity: 0.7077
Similarity to MM25718
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8288 |
| MW: | 105.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130847
Similarity: 0.6633
Similarity to MM130847
| Tanimoto metric | 0.6633 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.7975 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137675
Similarity: 0.6633
Similarity to MM137675
| Tanimoto metric | 0.6633 |
|---|---|
| Cosine metric | 0.8144 |
| Dice metric | 0.7975 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
