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DocumentationIdentifier: MM107587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107587 |
| SMILES |
C=C(C=CF)CCC
|
| InChIKey |
HUJWEBOQQLEKSN-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM157239
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| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8876 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.29 |
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Total active interactions
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MM98218
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Similarity to MM98218
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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