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DocumentationIdentifier: MM379718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379718 |
| SMILES |
CCC#CC(CN)NC=N
|
| InChIKey |
QZOKHHUGUHOAGP-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.08
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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MM379720
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| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.87 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8607 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
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Total active interactions
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| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8546 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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