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DocumentationIdentifier: MM449503
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM449503 |
| SMILES |
O=CC(C=O)C(=O)CF
|
| InChIKey |
HOLVZLCMEFHTMN-UHFFFAOYSA-N
|
| MW [Da] |
132.09
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM307305
Similarity: 0.7609
Similarity to MM307305
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53555
Similarity: 0.5849
Similarity to MM53555
| Tanimoto metric | 0.5849 |
|---|---|
| Cosine metric | 0.7486 |
| Dice metric | 0.7381 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197285
Similarity: 0.5849
Similarity to MM197285
| Tanimoto metric | 0.5849 |
|---|---|
| Cosine metric | 0.7486 |
| Dice metric | 0.7381 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
