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DocumentationIdentifier: MM165558
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165558 |
| SMILES |
CCCNCC(O)CN
|
| InChIKey |
QWEKBZHIOQRZHT-UHFFFAOYSA-N
|
| MW [Da] |
132.21
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
MM362967
Similarity: 0.8657
Similarity to MM362967
| Tanimoto metric | 0.8657 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.928 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112579
Similarity: 0.8621
Similarity to MM112579
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165560
Similarity: 0.8125
Similarity to MM165560
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8966 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+557 more
