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DocumentationIdentifier: MM79698
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79698 |
| SMILES |
NCCCNCC=CF
|
| InChIKey |
ULGJESMWAOBOFA-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM125797
Similarity: 0.8491
Similarity to MM125797
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 117.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290242
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Similarity to MM290242
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80838
Similarity: 0.7681
Similarity to MM80838
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+598 more
