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DocumentationIdentifier: MM326151
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326151 |
| SMILES |
CCC(CC)CC(F)C#N
|
| InChIKey |
PNAGYAUWBGVEQA-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141627
Similarity: 0.925
Similarity to MM141627
| Tanimoto metric | 0.925 |
|---|---|
| Cosine metric | 0.9618 |
| Dice metric | 0.961 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244746
Similarity: 0.7789
Similarity to MM244746
| Tanimoto metric | 0.7789 |
|---|---|
| Cosine metric | 0.877 |
| Dice metric | 0.8757 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226125
Similarity: 0.7551
Similarity to MM226125
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8605 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
