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DocumentationIdentifier: MM241887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241887 |
| SMILES |
CC(O)(CO)C(F)CC=O
|
| InChIKey |
DBSCUKUQQQJJDE-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137483
Similarity: 0.7619
Similarity to MM137483
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241804
Similarity: 0.6707
Similarity to MM241804
| Tanimoto metric | 0.6707 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.8029 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49971
Similarity: 0.5782
Similarity to MM49971
| Tanimoto metric | 0.5782 |
|---|---|
| Cosine metric | 0.7604 |
| Dice metric | 0.7328 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
