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DocumentationIdentifier: MM377723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377723 |
| SMILES |
C#CCC(OC)C(=O)CF
|
| InChIKey |
CINGHBLVULPCEF-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172648
Similarity: 0.7292
Similarity to MM172648
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8434 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179927
Similarity: 0.7014
Similarity to MM179927
| Tanimoto metric | 0.7014 |
|---|---|
| Cosine metric | 0.8375 |
| Dice metric | 0.8245 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02656
Similarity: 0.6034
Similarity to MM02656
| Tanimoto metric | 0.6034 |
|---|---|
| Cosine metric | 0.7526 |
| Dice metric | 0.7526 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
