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DocumentationIdentifier: MM167789
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167789 |
| SMILES |
CCCCN=C(C)NC
|
| InChIKey |
FRLGVXPOMDLKRL-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.42
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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MM371382
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| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.03 |
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Total active interactions
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MM284786
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| Tanimoto metric | 0.7872 |
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| Cosine metric | 0.8873 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+292 more
