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DocumentationIdentifier: MM168291
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168291 |
| SMILES |
CCC=COC(C)C=O
|
| InChIKey |
TXLPEMZYFIYXIB-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM407007
Similarity: 0.8933
Similarity to MM407007
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372754
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Similarity to MM372754
| Tanimoto metric | 0.8816 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.9371 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113547
Similarity: 0.8358
Similarity to MM113547
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+1006 more
