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DocumentationIdentifier: MM159616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159616 |
| SMILES |
C=CCC=C(C)OC=O
|
| InChIKey |
FYANJTCAJJTTOU-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.64
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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MM284964
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| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107894
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| Tanimoto metric | 0.8205 |
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| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
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|---|---|---|---|---|---|
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Total active interactions
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MM267522
Similarity: 0.6783
Similarity to MM267522
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8236 |
| Dice metric | 0.8083 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+241 more
