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DocumentationIdentifier: MM369968
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369968 |
| SMILES |
CCC(C)=COCCC#N
|
| InChIKey |
ALRPZZXUIYERRT-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.23
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 | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7867 |
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| Cosine metric | 0.8869 |
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| MW: | 125.17 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.84 |
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Total active interactions
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MM284750
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| Tanimoto metric | 0.7753 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8734 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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