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DocumentationIdentifier: MM28358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28358 |
| SMILES |
CC(C)(F)C(O)C=O
|
| InChIKey |
MDFKGAMGPRYVEO-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM26994
Similarity: 0.7
Similarity to MM26994
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131384
Similarity: 0.6838
Similarity to MM131384
| Tanimoto metric | 0.6838 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8122 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137549
Similarity: 0.6349
Similarity to MM137549
| Tanimoto metric | 0.6349 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7767 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
