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DocumentationIdentifier: MM287034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287034 |
| SMILES |
O=C(O)CCCCCCF
|
| InChIKey |
HCWNGLSFAHYVNL-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.99
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 | 0.8286 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9063 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
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Total active interactions
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|---|---|
| Cosine metric | 0.8876 |
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|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 2.04 |
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| AI: | 0
Total active interactions
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