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DocumentationIdentifier: MM262201
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262201 |
| SMILES |
C=CC(=O)CC(O)COC
|
| InChIKey |
AGRUFZMAHLIMDW-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.14
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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MM142121
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Similarity to MM142121
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8815 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328935
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| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8267 |
| Dice metric | 0.8259 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM264288
Similarity: 0.6691
Similarity to MM264288
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8017 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
