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DocumentationIdentifier: MM159428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159428 |
| SMILES |
C#CC=C(F)C#CCO
|
| InChIKey |
RRQNUGLYRSQYSI-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284525
Similarity: 0.837
Similarity to MM284525
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37313
Similarity: 0.8312
Similarity to MM37313
| Tanimoto metric | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171708
Similarity: 0.7738
Similarity to MM171708
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8725 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
