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DocumentationIdentifier: MM55543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55543 |
| SMILES |
CC=C(C#CC=O)C=O
|
| InChIKey |
VFVUMVCFGIBRMU-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116691
Similarity: 0.8049
Similarity to MM116691
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179542
Similarity: 0.7609
Similarity to MM179542
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8643 |
| Dice metric | 0.8642 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385046
Similarity: 0.7593
Similarity to MM385046
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
