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DocumentationIdentifier: MM361186
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361186 |
| SMILES |
N#CC#CC(F)=CC=CF
|
| InChIKey |
OXYGZBUXHRJGCH-UHFFFAOYSA-N
|
| MW [Da] |
139.1
Automatically obtained from RDkit software. |
| LogP |
1.85
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: 0.8804
Similarity to MM159405
| Tanimoto metric | 0.8804 |
|---|---|
| Cosine metric | 0.9383 |
| Dice metric | 0.9364 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361184
Similarity: 0.8137
Similarity to MM361184
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8973 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159880
Similarity: 0.7935
Similarity to MM159880
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
