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DocumentationIdentifier: MM342480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM342480 |
| SMILES |
CCC(=CF)COC(C)=O
|
| InChIKey |
BPGKIFLCQUDBBH-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.81
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 | 0.7377 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7295 |
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| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.52 |
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MM320628
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| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7931 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
