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DocumentationIdentifier: MM348543
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348543 |
| SMILES |
C=COCC(O)C(O)C=O
|
| InChIKey |
HKIQBIWDKYYXTG-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172107
Similarity: 0.7788
Similarity to MM172107
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8825 |
| Dice metric | 0.8756 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47835
Similarity: 0.6991
Similarity to MM47835
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362451
Similarity: 0.6923
Similarity to MM362451
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8182 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
