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DocumentationIdentifier: MM170348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170348 |
| SMILES |
C=CCC=CC(F)=CC
|
| InChIKey |
CYMLPIIDPRAECI-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114382
Similarity: 0.8438
Similarity to MM114382
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9186 |
| Dice metric | 0.9153 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154289
Similarity: 0.8
Similarity to MM154289
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8889 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159169
Similarity: 0.7714
Similarity to MM159169
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.871 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+634 more
