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DocumentationIdentifier: MM01625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01625 |
| SMILES |
CC(F)(F)C(F)C=O
|
| InChIKey |
NBDCMKNBMILWHK-UHFFFAOYSA-N
|
| MW [Da] |
126.08
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228885
Similarity: 0.7419
Similarity to MM228885
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 158.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98436
Similarity: 0.6377
Similarity to MM98436
| Tanimoto metric | 0.6377 |
|---|---|
| Cosine metric | 0.7985 |
| Dice metric | 0.7788 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2,3,3-trifluoropropanal
Similarity: 0.6232
Similarity to 2,3,3-trifluoropropanal
| Tanimoto metric | 0.6232 |
|---|---|
| Cosine metric | 0.7894 |
| Dice metric | 0.7679 |
| MW: | 112.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
