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DocumentationIdentifier: MM364281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364281 |
| SMILES |
C#CC(F)CCCCC#N
|
| InChIKey |
JCIBUGVPQKBYLL-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166279
Similarity: 0.7821
Similarity to MM166279
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8777 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166225
Similarity: 0.7778
Similarity to MM166225
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364126
Similarity: 0.7531
Similarity to MM364126
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8592 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
