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DocumentationIdentifier: MM135566
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135566 |
| SMILES |
C=C(C)OC(=C)CCC
|
| InChIKey |
UEDZCBZEARLILT-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291841
Similarity: 0.825
Similarity to MM291841
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9041 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237075
Similarity: 0.7959
Similarity to MM237075
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156189
Similarity: 0.775
Similarity to MM156189
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8732 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+342 more
