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DocumentationIdentifier: MM173621
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173621 |
| SMILES |
C=C(COC)C(=C)OC
|
| InChIKey |
NZJLLKVOSNKYKR-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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MM112111
Similarity: 0.8372
Similarity to MM112111
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173756
Similarity: 0.6667
Similarity to MM173756
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8008 |
| Dice metric | 0.8 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112145
Similarity: 0.6224
Similarity to MM112145
| Tanimoto metric | 0.6224 |
|---|---|
| Cosine metric | 0.7699 |
| Dice metric | 0.7673 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
