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DocumentationIdentifier: MM262881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262881 |
| SMILES |
C=CCC(=O)CN(C)C=O
|
| InChIKey |
UORNFIQOOYDURN-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM438699
Similarity: 0.8095
Similarity to MM438699
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46046
Similarity: 0.7524
Similarity to MM46046
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83426
Similarity: 0.6583
Similarity to MM83426
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.7952 |
| Dice metric | 0.794 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
