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DocumentationIdentifier: MM79305
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79305 |
| SMILES |
C#CC(F)C#CC(=O)CO
|
| InChIKey |
WKGRZPUQJGUIGT-UHFFFAOYSA-N
|
| MW [Da] |
140.11
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146097
Similarity: 0.819
Similarity to MM146097
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146078
Similarity: 0.7333
Similarity to MM146078
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323130
Similarity: 0.7049
Similarity to MM323130
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8269 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
