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DocumentationIdentifier: MM363791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363791 |
| SMILES |
C=CCOC=CN(C)C=O
|
| InChIKey |
ROOFLAHOWJAGBC-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.75
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 | 0.859 |
|---|---|
| Cosine metric | 0.9268 |
| Dice metric | 0.9241 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215024
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| Tanimoto metric | 0.7821 |
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| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM92899
Similarity: 0.7614
Similarity to MM92899
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8645 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
