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DocumentationIdentifier: MM158563
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158563 |
| SMILES |
C=CNC(=N)C#CCN
|
| InChIKey |
GHERYDAZHXBULV-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
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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| Tanimoto metric | 0.9383 |
|---|---|
| Cosine metric | 0.9686 |
| Dice metric | 0.9682 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
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| AI: | 0
Total active interactions
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MM74045
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| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
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| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
