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DocumentationIdentifier: MM391067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM391067 |
| SMILES |
CC(C)=C(CO)C(O)CO
|
| InChIKey |
NHITXJCHKQNNAE-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47726
Similarity: 0.7797
Similarity to MM47726
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382690
Similarity: 0.7239
Similarity to MM382690
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8398 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382686
Similarity: 0.7239
Similarity to MM382686
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.8398 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
