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DocumentationIdentifier: MM77530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77530 |
| SMILES |
O=CC(O)(C=O)CC=CF
|
| InChIKey |
AGXUAZWFOTUZNL-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42371
Similarity: 0.785
Similarity to MM42371
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228784
Similarity: 0.6549
Similarity to MM228784
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7915 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28566
Similarity: 0.6542
Similarity to MM28566
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.791 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
