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DocumentationIdentifier: MM386823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386823 |
| SMILES |
COCCN(C=N)CCO
|
| InChIKey |
AAWBRXZDJMSIJY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.47
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 | 0.7955 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8861 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7527 |
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| Cosine metric | 0.8609 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
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MM403585
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Similarity to MM403585
| Tanimoto metric | 0.7527 |
|---|---|
| Cosine metric | 0.8609 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+245 more
