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DocumentationIdentifier: MM155089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155089 |
| SMILES |
CC#CC=CC=C(F)F
|
| InChIKey |
ORHKKADKFDWUDE-UHFFFAOYSA-N
|
| MW [Da] |
128.12
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM290639
Similarity: 0.9483
Similarity to MM290639
| Tanimoto metric | 0.9483 |
|---|---|
| Cosine metric | 0.9738 |
| Dice metric | 0.9735 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290646
Similarity: 0.8462
Similarity to MM290646
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290630
Similarity: 0.8209
Similarity to MM290630
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+622 more
