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DocumentationIdentifier: MM308150
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308150 |
| SMILES |
O=COCC(F)(CO)CO
|
| InChIKey |
VSTHUURRJMFFTI-UHFFFAOYSA-N
|
| MW [Da] |
152.12
Automatically obtained from RDkit software. |
| LogP |
-1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102767
Similarity: 0.6941
Similarity to MM102767
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8194 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28490
Similarity: 0.6588
Similarity to MM28490
| Tanimoto metric | 0.6588 |
|---|---|
| Cosine metric | 0.8117 |
| Dice metric | 0.7943 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112700
Similarity: 0.6353
Similarity to MM112700
| Tanimoto metric | 0.6353 |
|---|---|
| Cosine metric | 0.7971 |
| Dice metric | 0.777 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
