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DocumentationIdentifier: MM135444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135444 |
| SMILES |
C=CCC(=O)OC(C)C
|
| InChIKey |
PGOZNRKWKUHCGC-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221245
Similarity: 0.8495
Similarity to MM221245
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107424
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| Tanimoto metric | 0.7975 |
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| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262596
Similarity: 0.7822
Similarity to MM262596
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8778 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
