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DocumentationIdentifier: MM221237
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221237 |
| SMILES |
C=COC(=C)CC(C)(F)F
|
| InChIKey |
WDSVGOMZKQOSHQ-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130164
Similarity: 0.8279
Similarity to MM130164
| Tanimoto metric | 0.8279 |
|---|---|
| Cosine metric | 0.9099 |
| Dice metric | 0.9058 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135433
Similarity: 0.7541
Similarity to MM135433
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8598 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226750
Similarity: 0.6892
Similarity to MM226750
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8162 |
| Dice metric | 0.816 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
