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DocumentationIdentifier: MM267179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM267179 |
| SMILES |
C=CC(C)=CC(F)=CCC
|
| InChIKey |
JHWNKEYGBBAIQT-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
3.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143934
Similarity: 0.8387
Similarity to MM143934
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268210
Similarity: 0.7767
Similarity to MM268210
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8744 |
| Dice metric | 0.8743 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339585
Similarity: 0.7745
Similarity to MM339585
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8729 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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