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DocumentationIdentifier: MM81543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM81543 |
| SMILES |
C=CN(C=N)C=C(C)C=O
|
| InChIKey |
VLZAENMHFVOKGV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.14
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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MM77028
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| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8122 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8265 |
| Dice metric | 0.8118 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM150695
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|---|---|
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| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+112 more
