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DocumentationIdentifier: MM144824
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144824 |
| SMILES |
CN=C(N)CCC(N)=O
|
| InChIKey |
WEWHIRIJZSAKBN-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.76
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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MM103452
Similarity: 0.7191
Similarity to MM103452
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8366 |
| MW: | 115.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7079 |
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| Cosine metric | 0.8413 |
| Dice metric | 0.8289 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM245638
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Similarity to MM245638
| Tanimoto metric | 0.6054 |
|---|---|
| Cosine metric | 0.7781 |
| Dice metric | 0.7542 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
