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DocumentationIdentifier: MM172373
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172373 |
| SMILES |
CNC(=N)C(N)CCN
|
| InChIKey |
PVBHVMUVTHXNBQ-UHFFFAOYSA-N
|
| MW [Da] |
130.2
Automatically obtained from RDkit software. |
| LogP |
-1.14
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 | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | -1.16 |
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Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | -0.63 |
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+407 more
