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DocumentationIdentifier: MM171732
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171732 |
| SMILES |
CC(CCN)C(N)CO
|
| InChIKey |
XMPAKPLYGIQLQO-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141495
Similarity: 0.7191
Similarity to MM141495
| Tanimoto metric | 0.7191 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.8366 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196782
Similarity: 0.6897
Similarity to MM196782
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8163 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171731
Similarity: 0.6737
Similarity to MM171731
| Tanimoto metric | 0.6737 |
|---|---|
| Cosine metric | 0.805 |
| Dice metric | 0.805 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
