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DocumentationIdentifier: MM42875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42875 |
| SMILES |
CC(CF)OC(=O)CO
|
| InChIKey |
RHYHQJGQNNUZNT-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104322
Similarity: 0.7333
Similarity to MM104322
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329465
Similarity: 0.7258
Similarity to MM329465
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8411 |
| MW: | 150.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330060
Similarity: 0.7031
Similarity to MM330060
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8257 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
