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DocumentationIdentifier: MM254879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254879 |
| SMILES |
CCC(=O)C1NC1CO
|
| InChIKey |
SAIWMSITQCTIRJ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.7
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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MM254578
Similarity: 0.7841
Similarity to MM254578
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM410063
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| Tanimoto metric | 0.6989 |
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| Cosine metric | 0.836 |
| Dice metric | 0.8227 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM194067
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Similarity to MM194067
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.7875 |
| Dice metric | 0.7875 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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