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DocumentationIdentifier: MM247843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247843 |
| SMILES |
CC(=CC(O)C=O)C(C)O
|
| InChIKey |
IBDLCDMVVNYZOZ-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM66617
Similarity: 0.875
Similarity to MM66617
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9333 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM337117
Similarity: 0.816
Similarity to MM337117
| Tanimoto metric | 0.816 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8987 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360770
Similarity: 0.7328
Similarity to MM360770
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8458 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+482 more
