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DocumentationIdentifier: MM361996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361996 |
| SMILES |
CCC(N)C(C)OCCN
|
| InChIKey |
BKNNWWHYZOGKNJ-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171884
Similarity: 0.8762
Similarity to MM171884
| Tanimoto metric | 0.8762 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.934 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268322
Similarity: 0.8034
Similarity to MM268322
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.891 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292625
Similarity: 0.748
Similarity to MM292625
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8559 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
