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DocumentationIdentifier: MM373279
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373279 |
| SMILES |
C=CCCN1CC1(C)C=O
|
| InChIKey |
ADULNPRJMZXFFT-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.84
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 | 0.8773 |
|---|---|
| Cosine metric | 0.9366 |
| Dice metric | 0.9346 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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|---|---|---|---|---|---|
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Total passive interactions
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+82 more
