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DocumentationIdentifier: MM130785
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130785 |
| SMILES |
CCC(C)(C)NC(C)=N
|
| InChIKey |
JEQMLQOBTRSVBV-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.76
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 | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.15 |
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|---|---|---|---|---|---|
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MM222112
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Similarity to MM222112
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
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Total active interactions
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