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DocumentationIdentifier: MM263785
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263785 |
| SMILES |
C#CC(=C)NC(=N)CCN
|
| InChIKey |
ZGAVZMQAGKCNHB-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.05
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 | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7642 |
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| Cosine metric | 0.8742 |
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| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
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| AI: | 0
Total active interactions
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MM246558
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| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8306 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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