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DocumentationIdentifier: MM268172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268172 |
| SMILES |
C=CCC(C)=CC(F)=CF
|
| InChIKey |
ZQQUVIJKZNUWLS-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
3.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143893
Similarity: 0.8252
Similarity to MM143893
| Tanimoto metric | 0.8252 |
|---|---|
| Cosine metric | 0.9084 |
| Dice metric | 0.9043 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339366
Similarity: 0.7522
Similarity to MM339366
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8586 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248629
Similarity: 0.6911
Similarity to MM248629
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8173 |
| MW: | 150.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
