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DocumentationIdentifier: MM388164
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388164 |
| SMILES |
C=CC(CNC)OC=CF
|
| InChIKey |
SQQJUHUMNKKYMP-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.22
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 | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6718 |
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| Cosine metric | 0.8037 |
| Dice metric | 0.8037 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
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| AI: | 0
Total active interactions
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MM74115
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| Tanimoto metric | 0.6296 |
|---|---|
| Cosine metric | 0.7935 |
| Dice metric | 0.7727 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
