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DocumentationIdentifier: MM255939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255939 |
| SMILES |
CNC(=O)C(C)=C(C)CO
|
| InChIKey |
FJYMWZKRKQRGPZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
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 | 0.7343 |
|---|---|
| Cosine metric | 0.8569 |
| Dice metric | 0.8468 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7133 |
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| Cosine metric | 0.8446 |
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| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.09 |
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Total active interactions
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MM301746
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| Tanimoto metric | 0.6871 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8145 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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