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DocumentationIdentifier: MM62485
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62485 |
| SMILES |
CCNCC(=N)NCC#N
|
| InChIKey |
NZQJSPIERWGOBL-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.31
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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MM156289
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| Tanimoto metric | 0.9241 |
|---|---|
| Cosine metric | 0.9613 |
| Dice metric | 0.9605 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291924
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| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.936 |
| Dice metric | 0.9359 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM88652
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Similarity to MM88652
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8908 |
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| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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