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DocumentationIdentifier: MM362202
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362202 |
| SMILES |
C=COCC(O)C(O)CO
|
| InChIKey |
LJFKEIAGMQINJL-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47835
Similarity: 0.8778
Similarity to MM47835
| Tanimoto metric | 0.8778 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.9349 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83088
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| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.878 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM45707
Similarity: 0.7556
Similarity to MM45707
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+406 more
