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DocumentationIdentifier: MM269872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269872 |
| SMILES |
CC(=O)OC(C)C(C)=CF
|
| InChIKey |
YNBUPHOTFUKPAE-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133746
Similarity: 0.7315
Similarity to MM133746
| Tanimoto metric | 0.7315 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.845 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245699
Similarity: 0.6133
Similarity to MM245699
| Tanimoto metric | 0.6133 |
|---|---|
| Cosine metric | 0.7604 |
| Dice metric | 0.7603 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145322
Similarity: 0.604
Similarity to MM145322
| Tanimoto metric | 0.604 |
|---|---|
| Cosine metric | 0.7772 |
| Dice metric | 0.7531 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
