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DocumentationIdentifier: MM363793
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363793 |
| SMILES |
C=CCCN=CN(C)C=C
|
| InChIKey |
IDESATUVWZBDFO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.67
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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MM169649
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| Tanimoto metric | 0.8553 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.922 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215031
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Similarity to MM215031
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM425787
Similarity: 0.7738
Similarity to MM425787
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8725 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
