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DocumentationIdentifier: MM438299
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM438299 |
| SMILES |
C=CC(=CCCC#N)CC
|
| InChIKey |
JXJFQCOGTDSXCK-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
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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MM386179
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| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8957 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7895 |
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| Cosine metric | 0.8885 |
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| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM171187
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| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
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| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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