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DocumentationIdentifier: MM162505
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162505 |
| SMILES |
CC(F)C(=O)COC=O
|
| InChIKey |
GHKOAUWOLNSXSR-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM231402
Similarity: 0.7559
Similarity to MM231402
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113184
Similarity: 0.625
Similarity to MM113184
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7692 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113187
Similarity: 0.625
Similarity to MM113187
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7692 |
| MW: | 120.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+38 more
