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DocumentationIdentifier: MM50370
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50370 |
| SMILES |
C=CCC(=O)C(O)C=C
|
| InChIKey |
UXSMNFWIPIJHGF-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35601
Similarity: 0.8391
Similarity to MM35601
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.916 |
| Dice metric | 0.9125 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34552
Similarity: 0.7816
Similarity to MM34552
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351520
Similarity: 0.6744
Similarity to MM351520
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8056 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
