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DocumentationIdentifier: MM241123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241123 |
| SMILES |
C=CC(C)(F)C=COCC
|
| InChIKey |
JEDUOTKZUUPGGB-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM138872
Similarity: 0.8229
Similarity to MM138872
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM311301
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| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8729 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM131809
Similarity: 0.7604
Similarity to MM131809
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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