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DocumentationIdentifier: MM112589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112589 |
| SMILES |
CCOCC(N)CN
|
| InChIKey |
AVWRLQUSLZOCPI-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165585
Similarity: 0.9153
Similarity to MM165585
| Tanimoto metric | 0.9153 |
|---|---|
| Cosine metric | 0.9567 |
| Dice metric | 0.9558 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165584
Similarity: 0.9
Similarity to MM165584
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165586
Similarity: 0.806
Similarity to MM165586
| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+645 more
