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DocumentationIdentifier: MM293499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293499 |
| SMILES |
C=COC(=O)C(O)CC=O
|
| InChIKey |
GPTNYQBUAIXNIM-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM173161
Similarity: 0.8295
Similarity to MM173161
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9107 |
| Dice metric | 0.9068 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50122
Similarity: 0.7674
Similarity to MM50122
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293045
Similarity: 0.7039
Similarity to MM293045
| Tanimoto metric | 0.7039 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.8263 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
