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DocumentationIdentifier: MM403359
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403359 |
| SMILES |
C=COCCC(C#N)OC
|
| InChIKey |
BJKGOJNMRDIFER-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387171
Similarity: 0.8333
Similarity to MM387171
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9091 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48524
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| Tanimoto metric | 0.7912 |
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| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM54241
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Similarity to MM54241
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
