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DocumentationIdentifier: MM275299
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275299 |
| SMILES |
C#CC(CN(C)C)C(=N)N
|
| InChIKey |
MTKGMQKWKCQDMP-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.27
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 | 0.6903 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8168 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6815 |
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| Cosine metric | 0.8106 |
| Dice metric | 0.8106 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6484 |
|---|---|
| Cosine metric | 0.7887 |
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| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+132 more
