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DocumentationIdentifier: MM164099
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM164099 |
| SMILES |
CC(C)=C(F)CNC=O
|
| InChIKey |
WGBJFPOPXDUMEJ-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24440
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Similarity to MM24440
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113870
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| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM361795
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| Tanimoto metric | 0.7203 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8374 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
