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DocumentationIdentifier: MM299846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299846 |
| SMILES |
COCC=CC(C)NC=O
|
| InChIKey |
OEEWTRXZZUSAPO-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157798
Similarity: 0.8387
Similarity to MM157798
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59147
Similarity: 0.6752
Similarity to MM59147
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8061 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252083
Similarity: 0.661
Similarity to MM252083
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7959 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+260 more
