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DocumentationIdentifier: MM281945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281945 |
| SMILES |
C=CCC(=C)C=COC=C
|
| InChIKey |
DUNRIJPLCLIUPN-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.79
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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MM158006
Similarity: 0.8571
Similarity to MM158006
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169902
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| Tanimoto metric | 0.8312 |
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| Cosine metric | 0.9117 |
| Dice metric | 0.9078 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281868
Similarity: 0.7556
Similarity to MM281868
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8608 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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