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DocumentationIdentifier: MM382029
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382029 |
| SMILES |
COC(=O)CC(F)C(=O)O
|
| InChIKey |
CGDBKYFIPDELIA-UHFFFAOYSA-N
|
| MW [Da] |
150.11
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142019
Similarity: 0.7597
Similarity to MM142019
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142270
Similarity: 0.7519
Similarity to MM142270
| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8584 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33006
Similarity: 0.5814
Similarity to MM33006
| Tanimoto metric | 0.5814 |
|---|---|
| Cosine metric | 0.7625 |
| Dice metric | 0.7353 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
