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DocumentationIdentifier: MM115918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM115918 |
| SMILES |
CNCC(CO)NC
|
| InChIKey |
WDZCRMGCSRDGJT-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
-1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198551
Similarity: 0.7808
Similarity to MM198551
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8769 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67222
Similarity: 0.7719
Similarity to MM67222
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 104.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149720
Similarity: 0.76
Similarity to MM149720
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
