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DocumentationIdentifier: MM257932
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM257932 |
| SMILES |
C=CC(C)CCNC(C)=N
|
| InChIKey |
VYZHAFRKAYIYBA-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.79
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 | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7442 |
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| Cosine metric | 0.8627 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
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| AI: | 0
Total active interactions
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MM166073
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
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+491 more
