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DocumentationIdentifier: MM25717
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25717 |
| SMILES |
CCC(F)(F)C=O
|
| InChIKey |
CJOXVLREMABKOM-UHFFFAOYSA-N
|
| MW [Da] |
108.09
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103062
Similarity: 0.7419
Similarity to MM103062
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8519 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
3,3-difluorobutan-2-one
Similarity: 0.7143
Similarity to 3,3-difluorobutan-2-one
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8333 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28574
Similarity: 0.697
Similarity to MM28574
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 119.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
