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DocumentationIdentifier: MM165586
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165586 |
| SMILES |
NCC(N)COCCO
|
| InChIKey |
LQLUQEYYOVEAQH-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
-1.72
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: 0.806
Similarity to MM112589
| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315379
Similarity: 0.7528
Similarity to MM315379
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165585
Similarity: 0.75
Similarity to MM165585
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8571 |
| MW: | 133.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+513 more
