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DocumentationIdentifier: MM197596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197596 |
| SMILES |
COC(CO)C(F)=CF
|
| InChIKey |
BOUWCKQSRICBLS-UHFFFAOYSA-N
|
| MW [Da] |
138.11
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM380379
Similarity: 0.7852
Similarity to MM380379
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8797 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38658
Similarity: 0.7179
Similarity to MM38658
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112225
Similarity: 0.7094
Similarity to MM112225
| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
