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DocumentationIdentifier: MM243719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243719 |
| SMILES |
COCC(C)(C=O)C(C)F
|
| InChIKey |
ADIQQMRFQPDQEE-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM313471
Similarity: 0.6779
Similarity to MM313471
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.8093 |
| Dice metric | 0.808 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229805
Similarity: 0.6235
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| Tanimoto metric | 0.6235 |
|---|---|
| Cosine metric | 0.7681 |
| Dice metric | 0.7681 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM196722
Similarity: 0.5586
Similarity to MM196722
| Tanimoto metric | 0.5586 |
|---|---|
| Cosine metric | 0.7272 |
| Dice metric | 0.7168 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+125 more
