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DocumentationIdentifier: MM378267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378267 |
| SMILES |
C=CCN(C=O)C=CC=O
|
| InChIKey |
HSXZDDDEOKKMKG-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378269
Similarity: 0.7232
Similarity to MM378269
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8394 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378159
Similarity: 0.675
Similarity to MM378159
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8061 |
| Dice metric | 0.806 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378344
Similarity: 0.6667
Similarity to MM378344
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
