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DocumentationIdentifier: MM319823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319823 |
| SMILES |
C#CC(=O)OCC(=C)CC
|
| InChIKey |
SRUGSEGBZPNITJ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
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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MM145225
Similarity: 0.7797
Similarity to MM145225
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144898
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| Tanimoto metric | 0.7542 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8599 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251377
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| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8227 |
| Dice metric | 0.8225 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
