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DocumentationIdentifier: MM150498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150498 |
| SMILES |
C=C(C)CC(C#N)=CF
|
| InChIKey |
MIOCIXJMHMAYBS-UHFFFAOYSA-N
|
| MW [Da] |
125.15
Automatically obtained from RDkit software. |
| LogP |
2.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM334418
Similarity: 0.898
Similarity to MM334418
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9476 |
| Dice metric | 0.9462 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334899
Similarity: 0.898
Similarity to MM334899
| Tanimoto metric | 0.898 |
|---|---|
| Cosine metric | 0.9476 |
| Dice metric | 0.9462 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143164
Similarity: 0.8298
Similarity to MM143164
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.907 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+374 more
