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DocumentationIdentifier: MM175067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175067 |
| SMILES |
CCC(O)C(C)=CCO
|
| InChIKey |
JUERIEHETUZKHS-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.7
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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MM385572
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| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8734 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM72335
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| Tanimoto metric | 0.7479 |
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| Cosine metric | 0.8648 |
| Dice metric | 0.8558 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM296037
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| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8558 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+842 more
