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DocumentationIdentifier: MM169722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169722 |
| SMILES |
C=CCN=CN(C)C=C
|
| InChIKey |
KHAFDUDDWNBWON-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.28
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 | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 1.57 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.67 |
||||
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+236 more
