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DocumentationIdentifier: MM15725
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15725 |
| SMILES |
O=CCC(F)C=O
|
| InChIKey |
GKEUKEGBTSDULM-UHFFFAOYSA-N
|
| MW [Da] |
104.08
Automatically obtained from RDkit software. |
| LogP |
0.11
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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| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 90.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM23950
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| Cosine metric | 0.8584 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.93 |
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|---|---|---|---|---|---|
| AI: | 0
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|---|---|
| Cosine metric | 0.8315 |
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| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
