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DocumentationIdentifier: MM159326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159326 |
| SMILES |
OCC#CC(F)=CCO
|
| InChIKey |
AZZZPSIOMKVAEK-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34331
Similarity: 0.8462
Similarity to MM34331
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37313
Similarity: 0.8205
Similarity to MM37313
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159352
Similarity: 0.7614
Similarity to MM159352
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8645 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+851 more
