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DocumentationIdentifier: MM107538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107538 |
| SMILES |
C=CCC(C)C=CF
|
| InChIKey |
IXGOPWPKIROXEC-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113523
Similarity: 0.8913
Similarity to MM113523
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9426 |
| Dice metric | 0.9425 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98155
Similarity: 0.8182
Similarity to MM98155
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 102.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199606
Similarity: 0.7593
Similarity to MM199606
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8632 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
