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DocumentationIdentifier: MM82459
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82459 |
| SMILES |
C=C(C=O)N(C)C(=O)CC
|
| InChIKey |
XLYJBCLGFFLBBK-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM160598
Similarity: 0.7375
Similarity to MM160598
| Tanimoto metric | 0.7375 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8489 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160702
Similarity: 0.725
Similarity to MM160702
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350170
Similarity: 0.6831
Similarity to MM350170
| Tanimoto metric | 0.6831 |
|---|---|
| Cosine metric | 0.8123 |
| Dice metric | 0.8117 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
