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DocumentationIdentifier: MM325368
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325368 |
| SMILES |
O=CC(F)=COC(=O)CO
|
| InChIKey |
ZWVHIRRSYFYKPW-UHFFFAOYSA-N
|
| MW [Da] |
148.09
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
MM44357
Similarity: 0.7917
Similarity to MM44357
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 132.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253270
Similarity: 0.709
Similarity to MM253270
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8297 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79526
Similarity: 0.6531
Similarity to MM79526
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7901 |
| MW: | 145.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
