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DocumentationIdentifier: MM363845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363845 |
| SMILES |
C=CC(F)CCCCC#N
|
| InChIKey |
XLCZYEQBCLXAKN-UHFFFAOYSA-N
|
| MW [Da] |
141.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165923
Similarity: 0.7917
Similarity to MM165923
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166069
Similarity: 0.7821
Similarity to MM166069
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8777 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363547
Similarity: 0.75
Similarity to MM363547
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8571 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
