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DocumentationIdentifier: MM258361
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258361 |
| SMILES |
CNC(=O)COCC(N)=O
|
| InChIKey |
YTXRSDWKCKSVCX-UHFFFAOYSA-N
|
| MW [Da] |
146.15
Automatically obtained from RDkit software. |
| LogP |
-1.77
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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MM364660
Similarity: 0.9474
Similarity to MM364660
| Tanimoto metric | 0.9474 |
|---|---|
| Cosine metric | 0.9733 |
| Dice metric | 0.973 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9211 |
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| Cosine metric | 0.9597 |
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| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166425
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Similarity to MM166425
| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
