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DocumentationIdentifier: MM349861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349861 |
| SMILES |
C#CC(O)C(O)C(=O)CF
|
| InChIKey |
DGHULUDTSATYMW-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160357
Similarity: 0.7358
Similarity to MM160357
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160313
Similarity: 0.7044
Similarity to MM160313
| Tanimoto metric | 0.7044 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8266 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172648
Similarity: 0.6604
Similarity to MM172648
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.7955 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+128 more
