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DocumentationIdentifier: MM166321
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166321 |
| SMILES |
C#CCCCC(F)C#C
|
| InChIKey |
ZIKGWPUGPRWLSC-UHFFFAOYSA-N
|
| MW [Da] |
124.16
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112938
Similarity: 0.8909
Similarity to MM112938
| Tanimoto metric | 0.8909 |
|---|---|
| Cosine metric | 0.9439 |
| Dice metric | 0.9423 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316235
Similarity: 0.873
Similarity to MM316235
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144204
Similarity: 0.8413
Similarity to MM144204
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9138 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+580 more
