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DocumentationIdentifier: MM420983
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420983 |
| SMILES |
C=CN(C=N)C(C)=CCN
|
| InChIKey |
WAMQUSWCSCXAIB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.9
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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MM197657
Similarity: 0.776
Similarity to MM197657
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175300
Similarity: 0.736
Similarity to MM175300
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360272
Similarity: 0.6619
Similarity to MM360272
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7992 |
| Dice metric | 0.7965 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
