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DocumentationIdentifier: MM371482
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371482 |
| SMILES |
C=CCNCCC(C)=CF
|
| InChIKey |
NARZBZFAXDHRDT-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM88451
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| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9359 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM87142
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| Tanimoto metric | 0.8765 |
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| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258749
Similarity: 0.7802
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| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8765 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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