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DocumentationIdentifier: MM312872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312872 |
| SMILES |
C=CC(C=C)(CO)NC=O
|
| InChIKey |
CHUQRUIOULHWRS-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM312627
Similarity: 0.7462
Similarity to MM312627
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8546 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243348
Similarity: 0.6736
Similarity to MM243348
| Tanimoto metric | 0.6736 |
|---|---|
| Cosine metric | 0.807 |
| Dice metric | 0.805 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243172
Similarity: 0.669
Similarity to MM243172
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8039 |
| Dice metric | 0.8017 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
