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DocumentationIdentifier: MM159939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159939 |
| SMILES |
CCC(N)C(O)C(C)N
|
| InChIKey |
JZTIBHTYDITDMV-UHFFFAOYSA-N
|
| MW [Da] |
132.21
Automatically obtained from RDkit software. |
| LogP |
-0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111480
Similarity: 0.7558
Similarity to MM111480
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171765
Similarity: 0.7526
Similarity to MM171765
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8588 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171778
Similarity: 0.75
Similarity to MM171778
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8571 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+361 more
