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DocumentationIdentifier: MM401431
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM401431 |
| SMILES |
C=CC(C=C)C(C=O)=CF
|
| InChIKey |
KCQDTZYFZVRWSO-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.03
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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MM197957
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| Tanimoto metric | 0.9029 |
|---|---|
| Cosine metric | 0.9502 |
| Dice metric | 0.949 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239142
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|---|---|
| Cosine metric | 0.84 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+197 more
