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DocumentationIdentifier: MM299261
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299261 |
| SMILES |
CC(=CC(=O)O)C(O)C=O
|
| InChIKey |
AHHUWTAGVDSXFD-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245222
Similarity: 0.7591
Similarity to MM245222
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51046
Similarity: 0.708
Similarity to MM51046
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8291 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273567
Similarity: 0.6707
Similarity to MM273567
| Tanimoto metric | 0.6707 |
|---|---|
| Cosine metric | 0.8029 |
| Dice metric | 0.8029 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
