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DocumentationIdentifier: MM160788
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160788 |
| SMILES |
O=C(C(F)F)C(O)CO
|
| InChIKey |
NIYFRHFWNWBOSO-UHFFFAOYSA-N
|
| MW [Da] |
140.09
Automatically obtained from RDkit software. |
| LogP |
-0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223890
Similarity: 0.8254
Similarity to MM223890
| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 158.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223885
Similarity: 0.6228
Similarity to MM223885
| Tanimoto metric | 0.6228 |
|---|---|
| Cosine metric | 0.7891 |
| Dice metric | 0.7675 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160357
Similarity: 0.5455
Similarity to MM160357
| Tanimoto metric | 0.5455 |
|---|---|
| Cosine metric | 0.7071 |
| Dice metric | 0.7059 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
