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DocumentationIdentifier: MM261659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261659 |
| SMILES |
C=COC(C)CC(C)C=O
|
| InChIKey |
YKQHAFQQEVFNIA-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.76
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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MM141683
Similarity: 0.798
Similarity to MM141683
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8876 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM327735
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| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8512 |
| Dice metric | 0.8495 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155964
Similarity: 0.7374
Similarity to MM155964
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
