Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM16579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16579 |
| SMILES |
O=CC(F)C(=O)CF
|
| InChIKey |
HKWUDKROZIIBSV-UHFFFAOYSA-N
|
| MW [Da] |
122.07
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM186066
Similarity: 0.7174
Similarity to MM186066
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 140.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-Fluoro-3-oxobutanal
Similarity: 0.697
Similarity to 2-Fluoro-3-oxobutanal
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98548
Similarity: 0.697
Similarity to MM98548
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8348 |
| Dice metric | 0.8214 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
