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DocumentationIdentifier: MM112651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112651 |
| SMILES |
CC(CN)CNC=N
|
| InChIKey |
VRLADZXSBWJLEA-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
-0.22
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 | 0.9388 |
|---|---|
| Cosine metric | 0.9689 |
| Dice metric | 0.9684 |
| MW: | 130.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8684 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+414 more
