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DocumentationIdentifier: MM330060
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330060 |
| SMILES |
C#CC(CF)OC(=O)CO
|
| InChIKey |
QQTWZPFKOSWIKS-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42875
Similarity: 0.7031
Similarity to MM42875
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8257 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43070
Similarity: 0.6875
Similarity to MM43070
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330058
Similarity: 0.6581
Similarity to MM330058
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.7938 |
| Dice metric | 0.7938 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+75 more
