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DocumentationIdentifier: MM98436
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98436 |
| SMILES |
CC(F)C(F)C=O
|
| InChIKey |
NRZJMCLJHMQOJF-UHFFFAOYSA-N
|
| MW [Da] |
108.09
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15725
Similarity: 0.7083
Similarity to MM15725
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8315 |
| Dice metric | 0.8293 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24498
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Similarity to MM24498
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 94.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-fluorobutanal
Similarity: 0.6818
Similarity to 2-fluorobutanal
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+292 more
