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DocumentationIdentifier: MM407029
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM407029 |
| SMILES |
C#CC(CF)C(C)OC=O
|
| InChIKey |
DKZZSHUIHBTOSS-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172293
Similarity: 0.6667
Similarity to MM172293
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376418
Similarity: 0.6497
Similarity to MM376418
| Tanimoto metric | 0.6497 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.7876 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407576
Similarity: 0.6154
Similarity to MM407576
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7698 |
| Dice metric | 0.7619 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
