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DocumentationIdentifier: MM261650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261650 |
| SMILES |
C=CCC(F)CC(F)C#N
|
| InChIKey |
NEBIFZVVNMKXIY-UHFFFAOYSA-N
|
| MW [Da] |
145.15
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141673
Similarity: 0.7245
Similarity to MM141673
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8402 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166071
Similarity: 0.6837
Similarity to MM166071
| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261525
Similarity: 0.6574
Similarity to MM261525
| Tanimoto metric | 0.6574 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7933 |
| MW: | 151.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+467 more
