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DocumentationIdentifier: MM143632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143632 |
| SMILES |
CCC(=O)C=C(C)CF
|
| InChIKey |
UUODEZWMNKAJNZ-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM266611
Similarity: 0.8687
Similarity to MM266611
| Tanimoto metric | 0.8687 |
|---|---|
| Cosine metric | 0.932 |
| Dice metric | 0.9297 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65860
Similarity: 0.8515
Similarity to MM65860
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266610
Similarity: 0.835
Similarity to MM266610
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
