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DocumentationIdentifier: MM198666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198666 |
| SMILES |
COC(CN)CNC=O
|
| InChIKey |
JOSCBYXAZZNSJZ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM115926
Similarity: 0.7179
Similarity to MM115926
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112661
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Similarity to MM112661
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340537
Similarity: 0.7027
Similarity to MM340537
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
