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DocumentationIdentifier: MM114528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114528 |
| SMILES |
O=CC(F)C#CCF
|
| InChIKey |
JXCWQGYOKFCEDR-UHFFFAOYSA-N
|
| MW [Da] |
118.08
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145954
Similarity: 0.8358
Similarity to MM145954
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM01624
Similarity: 0.8214
Similarity to MM01624
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 100.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114526
Similarity: 0.7778
Similarity to MM114526
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.875 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
