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DocumentationIdentifier: MM356722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356722 |
| SMILES |
C=C(CC=CF)CCC=O
|
| InChIKey |
GWUPIFMJPQFXMI-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.4
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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MM156487
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| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8759 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7527 |
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| Cosine metric | 0.8602 |
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| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.4 |
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| AI: | 0
Total active interactions
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MM236957
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| Tanimoto metric | 0.6593 |
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| Cosine metric | 0.7949 |
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|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.49 |
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