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DocumentationIdentifier: MM263095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263095 |
| SMILES |
C=C(CCN)NC(=N)CO
|
| InChIKey |
MREDWEZJWCWNOM-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
-0.59
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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MM88838
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Similarity to MM88838
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9107 |
| Dice metric | 0.9068 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263387
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| Tanimoto metric | 0.7365 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8482 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263530
Similarity: 0.7171
Similarity to MM263530
| Tanimoto metric | 0.7171 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8352 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
