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DocumentationIdentifier: MM166685
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166685 |
| SMILES |
C=CCOCC(=C)OC
|
| InChIKey |
VSKGVEJORUZIKC-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.35
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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MM113048
Similarity: 0.8793
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| Tanimoto metric | 0.8793 |
|---|---|
| Cosine metric | 0.9377 |
| Dice metric | 0.9358 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM48587
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| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.906 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM292345
Similarity: 0.7945
Similarity to MM292345
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
