Identifier: MM139271
2D Structure
3D Structure
Source:
General | |
Identifier | MM139271 |
SMILES |
CC(CF)(CF)CC=O
|
InChIKey |
PBFDEKVRGUHVRC-UHFFFAOYSA-N
|
MW [Da] |
136.14
Automatically obtained from RDkit software. |
LogP |
1.52
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
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Similarity: 0.7333
Similarity to 4-fluoro-3-(fluoromethyl)butanal
Tanimoto metric | 0.7333 |
---|---|
Cosine metric | 0.8563 |
Dice metric | 0.8462 |
MW: | 122.11 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.13 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM229223
Similarity: 0.6897
Similarity to MM229223
Tanimoto metric | 0.6897 |
---|---|
Cosine metric | 0.8305 |
Dice metric | 0.8163 |
MW: | 150.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.91 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM111389
Similarity: 0.6667
Similarity to MM111389
Tanimoto metric | 0.6667 |
---|---|
Cosine metric | 0.8165 |
Dice metric | 0.8 |
MW: | 122.16 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 2.34 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+247 more