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DocumentationIdentifier: MM229853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229853 |
| SMILES |
N#CC(F)(C=O)C(F)(F)F
|
| InChIKey |
WPAAUEPUZKTVEZ-UHFFFAOYSA-N
|
| MW [Da] |
155.05
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139945
Similarity: 0.8148
Similarity to MM139945
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 137.06 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229854
Similarity: 0.5878
Similarity to MM229854
| Tanimoto metric | 0.5878 |
|---|---|
| Cosine metric | 0.7488 |
| Dice metric | 0.7404 |
| MW: | 152.05 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111441
Similarity: 0.5852
Similarity to MM111441
| Tanimoto metric | 0.5852 |
|---|---|
| Cosine metric | 0.765 |
| Dice metric | 0.7383 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
