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DocumentationIdentifier: MM262332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262332 |
| SMILES |
C#CC(=O)OC(C)CNC
|
| InChIKey |
LGPXARDRYGJVDK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64366
Similarity: 0.7833
Similarity to MM64366
| Tanimoto metric | 0.7833 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8785 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135242
Similarity: 0.75
Similarity to MM135242
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264785
Similarity: 0.6714
Similarity to MM264785
| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.8034 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
