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DocumentationIdentifier: MM172938
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172938 |
| SMILES |
COCC(=O)C(F)CO
|
| InChIKey |
YPJHVFFURJENFZ-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350428
Similarity: 0.8293
Similarity to MM350428
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349353
Similarity: 0.6594
Similarity to MM349353
| Tanimoto metric | 0.6594 |
|---|---|
| Cosine metric | 0.7995 |
| Dice metric | 0.7948 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47959
Similarity: 0.6446
Similarity to MM47959
| Tanimoto metric | 0.6446 |
|---|---|
| Cosine metric | 0.7842 |
| Dice metric | 0.7839 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
