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DocumentationIdentifier: MM174006
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174006 |
| SMILES |
CC=CC(F)C(C)OC
|
| InChIKey |
NLDJIZPVOLLYFY-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
1.94
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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MM355180
Similarity: 0.8618
Similarity to MM355180
| Tanimoto metric | 0.8618 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9258 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111585
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| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108582
Similarity: 0.717
Similarity to MM108582
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
| Dice metric | 0.8352 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+663 more
