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DocumentationIdentifier: MM27074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27074 |
| SMILES |
CC(=O)C(O)C=O
|
| InChIKey |
GTYVZUSWKGYETP-UHFFFAOYSA-N
|
| MW [Da] |
102.09
Automatically obtained from RDkit software. |
| LogP |
-0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24281
Similarity: 0.7333
Similarity to MM24281
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 88.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111904
Similarity: 0.7031
Similarity to MM111904
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8257 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27032
Similarity: 0.6981
Similarity to MM27032
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8222 |
| MW: | 102.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
