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DocumentationIdentifier: MM165740
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165740 |
| SMILES |
O=COCCC(F)CO
|
| InChIKey |
WZKMHSUFBAFTJU-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
MM83089
Similarity: 0.8049
Similarity to MM83089
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8939 |
| Dice metric | 0.8919 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105552
Similarity: 0.7826
Similarity to MM105552
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112565
Similarity: 0.7536
Similarity to MM112565
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
