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DocumentationIdentifier: MM223890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223890 |
| SMILES |
O=C(C(O)CO)C(F)(F)F
|
| InChIKey |
SGGPIVRSDAVNHT-UHFFFAOYSA-N
|
| MW [Da] |
158.08
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160788
Similarity: 0.8254
Similarity to MM160788
| Tanimoto metric | 0.8254 |
|---|---|
| Cosine metric | 0.9085 |
| Dice metric | 0.9043 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220503
Similarity: 0.6051
Similarity to MM220503
| Tanimoto metric | 0.6051 |
|---|---|
| Cosine metric | 0.754 |
| Dice metric | 0.754 |
| MW: | 156.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223955
Similarity: 0.6
Similarity to MM223955
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7501 |
| Dice metric | 0.75 |
| MW: | 152.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
