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DocumentationIdentifier: MM165584
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165584 |
| SMILES |
CCCOCC(N)CN
|
| InChIKey |
GFVNORXBHQJDBI-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112589
Similarity: 0.9
Similarity to MM112589
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68356
Similarity: 0.8824
Similarity to MM68356
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165585
Similarity: 0.8594
Similarity to MM165585
| Tanimoto metric | 0.8594 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9244 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
