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DocumentationIdentifier: MM361184
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361184 |
| SMILES |
CC=CC=C(F)C#CC#N
|
| InChIKey |
HWALGHNQNNXXDV-UHFFFAOYSA-N
|
| MW [Da] |
135.14
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159405
Similarity: 0.871
Similarity to MM159405
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361186
Similarity: 0.8137
Similarity to MM361186
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8973 |
| MW: | 139.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159879
Similarity: 0.7957
Similarity to MM159879
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
