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DocumentationIdentifier: MM363874
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363874 |
| SMILES |
O=COCCCC(F)C=O
|
| InChIKey |
MYDVROFNIHMSAE-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.48
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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MM44927
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| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6667 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.69 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.3 |
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+319 more
