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DocumentationIdentifier: MM135242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135242 |
| SMILES |
CNCC(C)OC(C)=O
|
| InChIKey |
ODWXZUBDKHPFRU-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236675
Similarity: 0.8257
Similarity to MM236675
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261969
Similarity: 0.7826
Similarity to MM261969
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262225
Similarity: 0.7692
Similarity to MM262225
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
