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DocumentationIdentifier: MM319354
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319354 |
| SMILES |
C=CC(=C)CCC(=C)CF
|
| InChIKey |
LFDWPGBJNOIOMH-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
3.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144797
Similarity: 0.7625
Similarity to MM144797
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8652 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318622
Similarity: 0.7439
Similarity to MM318622
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8531 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM318617
Similarity: 0.7222
Similarity to MM318617
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8387 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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