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DocumentationIdentifier: MM255054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255054 |
| SMILES |
CC(C)C(=O)OCC(N)=O
|
| InChIKey |
KEONWWUGTBLROR-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM251165
Similarity: 0.72
Similarity to MM251165
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8372 |
| Dice metric | 0.8372 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62911
Similarity: 0.7087
Similarity to MM62911
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8295 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319063
Similarity: 0.6716
Similarity to MM319063
| Tanimoto metric | 0.6716 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.8036 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
