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DocumentationIdentifier: MM15813
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15813 |
| SMILES |
C=C(OC)C(C=O)C=O
|
| InChIKey |
DYTBJJVAQXFKAO-UHFFFAOYSA-N
|
| MW [Da] |
128.13
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
MM111932
Similarity: 0.8554
Similarity to MM111932
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173279
Similarity: 0.6961
Similarity to MM173279
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8208 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137910
Similarity: 0.6762
Similarity to MM137910
| Tanimoto metric | 0.6762 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8068 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
