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DocumentationIdentifier: MM271039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM271039 |
| SMILES |
NC(=O)C(=CCC=O)CF
|
| InChIKey |
YEGFDGSNVVHJKK-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
-0.04
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 | 0.8099 |
|---|---|
| Cosine metric | 0.8949 |
| Dice metric | 0.8949 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6768 |
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| Cosine metric | 0.8092 |
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| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6719 |
|---|---|
| Cosine metric | 0.8197 |
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| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+232 more
