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DocumentationIdentifier: MM296908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296908 |
| SMILES |
COCC(F)C(O)C(C)=O
|
| InChIKey |
XZMOJSUYWZIIBI-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160157
Similarity: 0.7727
Similarity to MM160157
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348826
Similarity: 0.6593
Similarity to MM348826
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.7949 |
| Dice metric | 0.7947 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348828
Similarity: 0.6134
Similarity to MM348828
| Tanimoto metric | 0.6134 |
|---|---|
| Cosine metric | 0.7605 |
| Dice metric | 0.7604 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+133 more
