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DocumentationIdentifier: MM28051
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28051 |
| SMILES |
COCC=CC=O
|
| InChIKey |
RTECOMVXMVKIAE-UHFFFAOYSA-N
|
| MW [Da] |
100.12
Automatically obtained from RDkit software. |
| LogP |
0.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126079
Similarity: 0.814
Similarity to MM126079
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213852
Similarity: 0.7609
Similarity to MM213852
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126210
Similarity: 0.7447
Similarity to MM126210
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
