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DocumentationIdentifier: MM350032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350032 |
| SMILES |
CCC(=O)C(C)C(=O)CC
|
| InChIKey |
FIJLPSJMPXGRJL-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
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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MM160493
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| Tanimoto metric | 0.9241 |
|---|---|
| Cosine metric | 0.9613 |
| Dice metric | 0.9605 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM378036
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| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.9126 |
| Dice metric | 0.9125 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM246251
Similarity: 0.6818
Similarity to MM246251
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8127 |
| Dice metric | 0.8108 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
