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DocumentationIdentifier: MM159391
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159391 |
| SMILES |
N#CC=C(F)C#CCF
|
| InChIKey |
PLMNWQSUDXMGHV-UHFFFAOYSA-N
|
| MW [Da] |
127.09
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM108017
Similarity: 0.8462
Similarity to MM108017
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253087
Similarity: 0.8298
Similarity to MM253087
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 145.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159407
Similarity: 0.7816
Similarity to MM159407
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8774 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
