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DocumentationIdentifier: MM225769
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225769 |
| SMILES |
C#CC(C)(C)C(=N)N(C)C
|
| InChIKey |
ASXOAMLNSHQKNN-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.18
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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MM160950
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| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM73467
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| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.843 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM71976
Similarity: 0.6963
Similarity to MM71976
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.821 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+368 more
