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DocumentationIdentifier: MM198638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198638 |
| SMILES |
C=CCCC(CN)NC
|
| InChIKey |
RABKVLSHBTZEIR-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.5
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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MM404612
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Similarity to MM404612
| Tanimoto metric | 0.8295 |
|---|---|
| Cosine metric | 0.9108 |
| Dice metric | 0.9068 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9057 |
| Dice metric | 0.9012 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.76 |
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| Tanimoto metric | 0.7849 |
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| Cosine metric | 0.886 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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