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DocumentationIdentifier: MM171679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171679 |
| SMILES |
N#CC(F)=CC#CCO
|
| InChIKey |
UYYRFEQUDRLUCV-UHFFFAOYSA-N
|
| MW [Da] |
125.1
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM371888
Similarity: 0.8617
Similarity to MM371888
| Tanimoto metric | 0.8617 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9257 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114921
Similarity: 0.7778
Similarity to MM114921
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261050
Similarity: 0.75
Similarity to MM261050
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
