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DocumentationIdentifier: MM144323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144323 |
| SMILES |
CC(=O)OCC(N)CO
|
| InChIKey |
PLNKLNFRKMRPIU-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250681
Similarity: 0.9121
Similarity to MM250681
| Tanimoto metric | 0.9121 |
|---|---|
| Cosine metric | 0.955 |
| Dice metric | 0.954 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316719
Similarity: 0.7905
Similarity to MM316719
| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 149.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67709
Similarity: 0.7831
Similarity to MM67709
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+385 more
